N-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine

C20H29N5O — CID 112911741

IUPACN-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCOCCCNc1cc(C)nc(N2CCN(c3cccc(C)c3)CC2)n1
InChIInChI=1S/C20H29N5O/c1-16-6-4-7-18(14-16)24-9-11-25(12-10-24)20-22-17(2)15-19(23-20)21-8-5-13-26-3/h4,6-7,14-15H,5,8-13H2,1-3H3,(H,21,22,23)
InChIKeyADHHSCZCYUTSEO-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.87
Rot. Bonds7

About N-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine

N-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 112911741) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is N-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID112911741
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC NameN-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCOCCCNc1cc(C)nc(N2CCN(c3cccc(C)c3)CC2)n1
InChIInChI=1S/C20H29N5O/c1-16-6-4-7-18(14-16)24-9-11-25(12-10-24)20-22-17(2)15-19(23-20)21-8-5-13-26-3/h4,6-7,14-15H,5,8-13H2,1-3H3,(H,21,22,23)
InChIKeyADHHSCZCYUTSEO-UHFFFAOYSA-N
XLogP2.87
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dimethyl-N-[6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]ethane-1,2-diamine
CID 112912809
N-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109324073
ethyl 4-[4-(3-methoxypropylamino)-6-methylpyrimidin-2-yl]piperazine-1-carboxylate
CID 112911739
N-(2-methoxyethyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910154
[2-(3-methoxypropylamino)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109167191
N-(3,5-dimethylphenyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112923497
N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 112911371
2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine
CID 112911357
N-(3-methoxypropyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109300202
N-(2,3-dimethylphenyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112923499
N-(4-fluorophenyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112923504
[2-(3-methoxypropylamino)pyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109300021

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine (CID 112911741) is N-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine is COCCCNc1cc(C)nc(N2CCN(c3cccc(C)c3)CC2)n1.
What is the InChIKey of N-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is ADHHSCZCYUTSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-16-6-4-7-18(14-16)24-9-11-25(12-10-24)20-22-17(2)15-19(23-20)21-8-5-13-26-3/h4,6-7,14-15H,5,8-13H2,1-3H3,(H,21,22,23).
What are the key properties of N-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine?
N-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 355.49 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 112911741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).