4-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]quinazoline-4,6-diamine

C19H28N6 — CID 146237654

IUPAC4-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]quinazoline-4,6-diamine
SMILESCN1CCN(C2CCC(Nc3ncnc4ccc(N)cc34)CC2)CC1
InChIInChI=1S/C19H28N6/c1-24-8-10-25(11-9-24)16-5-3-15(4-6-16)23-19-17-12-14(20)2-7-18(17)21-13-22-19/h2,7,12-13,15-16H,3-6,8-11,20H2,1H3,(H,21,22,23)
InChIKeyYKGVKGUPHRXNMS-UHFFFAOYSA-N
MW340.48 g/mol
LogP2.18
Rot. Bonds3

About 4-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]quinazoline-4,6-diamine

4-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]quinazoline-4,6-diamine (PubChem CID 146237654) has the molecular formula C19H28N6 and a molecular weight of 340.48 g/mol. Its IUPAC name is 4-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]quinazoline-4,6-diamine
PubChem CID146237654
Molecular FormulaC19H28N6
Molecular Weight340.48 g/mol
Exact Mass340.24
IUPAC Name4-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]quinazoline-4,6-diamine
SMILESCN1CCN(C2CCC(Nc3ncnc4ccc(N)cc34)CC2)CC1
InChIInChI=1S/C19H28N6/c1-24-8-10-25(11-9-24)16-5-3-15(4-6-16)23-19-17-12-14(20)2-7-18(17)21-13-22-19/h2,7,12-13,15-16H,3-6,8-11,20H2,1H3,(H,21,22,23)
InChIKeyYKGVKGUPHRXNMS-UHFFFAOYSA-N
XLogP2.18
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(6-aminoquinazolin-4-yl)amino]cyclohexan-1-ol
CID 64587470
4-N-(3-methylcyclobutyl)quinazoline-4,6-diamine
CID 113467100
N-[4-(6-azaspiro[2.5]octan-6-yl)cyclohexyl]-6-bromoquinazolin-4-amine
CID 118475382
4-N-(1,1-dioxothian-3-yl)quinazoline-4,6-diamine
CID 64588325
N-[4-(4,4-dimethylpiperidin-1-yl)cyclohexyl]-6-ethylquinazolin-4-amine
CID 118475354
N-[4-(3-fluoroazetidin-1-yl)cyclohexyl]-6-methylquinazolin-4-amine
CID 121255023
6-ethenyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 118475339
6-(methoxymethyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 118475288
6-butyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 121255036
6-(2-methoxyethenyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 123964283
4-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile
CID 121261640
4-N-(2,2-dimethylcyclopropyl)quinazoline-4,6-diamine
CID 64589706

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]quinazoline-4,6-diamine?
The IUPAC name of 4-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]quinazoline-4,6-diamine (CID 146237654) is 4-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]quinazoline-4,6-diamine?
The canonical SMILES for 4-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]quinazoline-4,6-diamine is CN1CCN(C2CCC(Nc3ncnc4ccc(N)cc34)CC2)CC1.
What is the InChIKey of 4-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]quinazoline-4,6-diamine?
The InChIKey is YKGVKGUPHRXNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6/c1-24-8-10-25(11-9-24)16-5-3-15(4-6-16)23-19-17-12-14(20)2-7-18(17)21-13-22-19/h2,7,12-13,15-16H,3-6,8-11,20H2,1H3,(H,21,22,23).
What are the key properties of 4-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]quinazoline-4,6-diamine?
4-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]quinazoline-4,6-diamine has a molecular weight of 340.48 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]quinazoline-4,6-diamine is sourced from PubChem (CID 146237654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).