4-N-[[4-[4-(2-fluoro-2-methylcyclopropanecarboximidoyl)piperazin-1-yl]cyclohexyl]methyl]quinazoline-4,6-diamine

C24H34FN7 — CID 146237698

IUPAC4-N-[[4-[4-(2-fluoro-2-methylcyclopropanecarboximidoyl)piperazin-1-yl]cyclohexyl]methyl]quinazoline-4,6-diamine
SMILES[H]/N=C(\C1CC1(C)F)N1CCN(C2CCC(CNc3ncnc4ccc(N)cc34)CC2)CC1
InChIInChI=1S/C24H34FN7/c1-24(25)13-20(24)22(27)32-10-8-31(9-11-32)18-5-2-16(3-6-18)14-28-23-19-12-17(26)4-7-21(19)29-15-30-23/h4,7,12,15-16,18,20,27H,2-3,5-6,8-11,13-14,26H2,1H3,(H,28,29,30)/b27-22+
InChIKeyQDOXFNQWUYCNSD-HPNDGRJYSA-N
MW439.58 g/mol
LogP3.53
Rot. Bonds5

About 4-N-[[4-[4-(2-fluoro-2-methylcyclopropanecarboximidoyl)piperazin-1-yl]cyclohexyl]methyl]quinazoline-4,6-diamine

4-N-[[4-[4-(2-fluoro-2-methylcyclopropanecarboximidoyl)piperazin-1-yl]cyclohexyl]methyl]quinazoline-4,6-diamine (PubChem CID 146237698) has the molecular formula C24H34FN7 and a molecular weight of 439.58 g/mol. Its IUPAC name is 4-N-[[4-[4-(2-fluoro-2-methylcyclopropanecarboximidoyl)piperazin-1-yl]cyclohexyl]methyl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-[[4-[4-(2-fluoro-2-methylcyclopropanecarboximidoyl)piperazin-1-yl]cyclohexyl]methyl]quinazoline-4,6-diamine
PubChem CID146237698
Molecular FormulaC24H34FN7
Molecular Weight439.58 g/mol
Exact Mass439.29
IUPAC Name4-N-[[4-[4-(2-fluoro-2-methylcyclopropanecarboximidoyl)piperazin-1-yl]cyclohexyl]methyl]quinazoline-4,6-diamine
SMILES[H]/N=C(\C1CC1(C)F)N1CCN(C2CCC(CNc3ncnc4ccc(N)cc34)CC2)CC1
InChIInChI=1S/C24H34FN7/c1-24(25)13-20(24)22(27)32-10-8-31(9-11-32)18-5-2-16(3-6-18)14-28-23-19-12-17(26)4-7-21(19)29-15-30-23/h4,7,12,15-16,18,20,27H,2-3,5-6,8-11,13-14,26H2,1H3,(H,28,29,30)/b27-22+
InChIKeyQDOXFNQWUYCNSD-HPNDGRJYSA-N
XLogP3.53
TPSA94.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-N-[[4-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]quinazoline-4,6-diamine
CID 146237700
[4-[4-[[(6-aminoquinazolin-4-yl)amino]methyl]cyclohexyl]piperazin-1-yl]-(3-ethenylcyclobutyl)methanone
CID 145056135
4-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]quinazoline-4,6-diamine
CID 146237654
4-N-[(1,1-dioxothiolan-3-yl)methyl]quinazoline-4,6-diamine
CID 64588908
4-N-(2,2-dimethylcyclopropyl)quinazoline-4,6-diamine
CID 64589706
2-amino-4-methylimino-3-[4-[(4-morpholin-4-ylcyclohexyl)methylamino]quinazolin-6-yl]but-2-en-1-ol
CID 146739493
4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinazoline-4,6-diamine
CID 64588487
ethane;4-N-methylquinazoline-4,6-diamine
CID 91218753
N-tert-butyl-4-[[(6-chloroquinazolin-4-yl)amino]methyl]piperidine-1-carboxamide
CID 138988346
N-[4-(4,4-dimethylpiperidin-1-yl)cyclohexyl]-6-ethylquinazolin-4-amine
CID 118475354
4-[(6-aminoquinazolin-4-yl)amino]cyclohexan-1-ol
CID 64587470
4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinazoline-4,7-diamine
CID 79353456

Frequently Asked Questions

What is the IUPAC name of 4-N-[[4-[4-(2-fluoro-2-methylcyclopropanecarboximidoyl)piperazin-1-yl]cyclohexyl]methyl]quinazoline-4,6-diamine?
The IUPAC name of 4-N-[[4-[4-(2-fluoro-2-methylcyclopropanecarboximidoyl)piperazin-1-yl]cyclohexyl]methyl]quinazoline-4,6-diamine (CID 146237698) is 4-N-[[4-[4-(2-fluoro-2-methylcyclopropanecarboximidoyl)piperazin-1-yl]cyclohexyl]methyl]quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-[[4-[4-(2-fluoro-2-methylcyclopropanecarboximidoyl)piperazin-1-yl]cyclohexyl]methyl]quinazoline-4,6-diamine?
The canonical SMILES for 4-N-[[4-[4-(2-fluoro-2-methylcyclopropanecarboximidoyl)piperazin-1-yl]cyclohexyl]methyl]quinazoline-4,6-diamine is [H]/N=C(\C1CC1(C)F)N1CCN(C2CCC(CNc3ncnc4ccc(N)cc34)CC2)CC1.
What is the InChIKey of 4-N-[[4-[4-(2-fluoro-2-methylcyclopropanecarboximidoyl)piperazin-1-yl]cyclohexyl]methyl]quinazoline-4,6-diamine?
The InChIKey is QDOXFNQWUYCNSD-HPNDGRJYSA-N. The full InChI is InChI=1S/C24H34FN7/c1-24(25)13-20(24)22(27)32-10-8-31(9-11-32)18-5-2-16(3-6-18)14-28-23-19-12-17(26)4-7-21(19)29-15-30-23/h4,7,12,15-16,18,20,27H,2-3,5-6,8-11,13-14,26H2,1H3,(H,28,29,30)/b27-22+.
What are the key properties of 4-N-[[4-[4-(2-fluoro-2-methylcyclopropanecarboximidoyl)piperazin-1-yl]cyclohexyl]methyl]quinazoline-4,6-diamine?
4-N-[[4-[4-(2-fluoro-2-methylcyclopropanecarboximidoyl)piperazin-1-yl]cyclohexyl]methyl]quinazoline-4,6-diamine has a molecular weight of 439.58 g/mol, XLogP of 3.53, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[4-[4-(2-fluoro-2-methylcyclopropanecarboximidoyl)piperazin-1-yl]cyclohexyl]methyl]quinazoline-4,6-diamine is sourced from PubChem (CID 146237698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).