N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine

C18H27N5O — CID 66903339

IUPACN-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNc1nccc(N2CCCCCC2)n1)Cc1ccco1
InChIInChI=1S/C18H27N5O/c1-22(15-16-7-6-14-24-16)13-10-20-18-19-9-8-17(21-18)23-11-4-2-3-5-12-23/h6-9,14H,2-5,10-13,15H2,1H3,(H,19,20,21)
InChIKeyZMRLCUKHWVNTOW-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.99
Rot. Bonds7

About N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine

N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine (PubChem CID 66903339) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
PubChem CID66903339
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC NameN-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNc1nccc(N2CCCCCC2)n1)Cc1ccco1
InChIInChI=1S/C18H27N5O/c1-22(15-16-7-6-14-24-16)13-10-20-18-19-9-8-17(21-18)23-11-4-2-3-5-12-23/h6-9,14H,2-5,10-13,15H2,1H3,(H,19,20,21)
InChIKeyZMRLCUKHWVNTOW-UHFFFAOYSA-N
XLogP2.99
TPSA57.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine with MolForge

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Related Compounds

N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-methyl-N'-(3-phenylpropyl)ethane-1,2-diamine
CID 66903731
N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-methyl-N'-[(2-phenylmethoxyphenyl)methyl]ethane-1,2-diamine
CID 66903294
4-[[2-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]ethyl-methylamino]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 66902810
N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-cyclohexyl-N'-methylethane-1,2-diamine
CID 90747007
N',N'-dimethyl-N-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine
CID 112887151
2-N-(2-aminoethyl)-4-N-(furan-2-ylmethyl)-4-N-methylpyrimidine-2,4-diamine
CID 91018803
1-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 66903028
N'-(furan-2-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 60843082
4-(azepan-1-yl)-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
CID 112889908
N-(2-methylpropyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883334
4-(azepan-1-yl)-N-tert-butylpyrimidin-2-amine
CID 112899807
4-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 112893866

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine (CID 66903339) is N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine is CN(CCNc1nccc(N2CCCCCC2)n1)Cc1ccco1.
What is the InChIKey of N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine?
The InChIKey is ZMRLCUKHWVNTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-22(15-16-7-6-14-24-16)13-10-20-18-19-9-8-17(21-18)23-11-4-2-3-5-12-23/h6-9,14H,2-5,10-13,15H2,1H3,(H,19,20,21).
What are the key properties of N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine?
N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine has a molecular weight of 329.45 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 66903339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).