4-(4-cyclopentyl-1,4-diazepan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine

C18H29N5O — CID 119061021

IUPAC4-(4-cyclopentyl-1,4-diazepan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine
SMILESNc1nc(C2CCOC2)cc(N2CCCN(C3CCCC3)CC2)n1
InChIInChI=1S/C18H29N5O/c19-18-20-16(14-6-11-24-13-14)12-17(21-18)23-8-3-7-22(9-10-23)15-4-1-2-5-15/h12,14-15H,1-11,13H2,(H2,19,20,21)
InChIKeyCAWMDUGFKIJIQK-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.02
Rot. Bonds3

About 4-(4-cyclopentyl-1,4-diazepan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine

4-(4-cyclopentyl-1,4-diazepan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine (PubChem CID 119061021) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-(4-cyclopentyl-1,4-diazepan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-cyclopentyl-1,4-diazepan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine
PubChem CID119061021
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name4-(4-cyclopentyl-1,4-diazepan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine
SMILESNc1nc(C2CCOC2)cc(N2CCCN(C3CCCC3)CC2)n1
InChIInChI=1S/C18H29N5O/c19-18-20-16(14-6-11-24-13-14)12-17(21-18)23-8-3-7-22(9-10-23)15-4-1-2-5-15/h12,14-15H,1-11,13H2,(H2,19,20,21)
InChIKeyCAWMDUGFKIJIQK-UHFFFAOYSA-N
XLogP2.02
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(azocan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine
CID 119059512
[1-[2-amino-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol
CID 126430167
4-[3-(methylamino)pyrrolidin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine
CID 66741197
6-[4-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carbonitrile
CID 126428881
4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(oxolan-3-yl)pyrimidin-2-amine
CID 118780899
3-[1-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]phenol
CID 126447690
4-[(3S)-oxolan-3-yl]-6-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidin-2-amine
CID 126430353
2-[[4-[(3R)-oxolan-3-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]amino]ethanol
CID 126451809
4-[4-(4-methylphenoxy)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine
CID 126436493
4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine
CID 126433878
2-[[4-(oxolan-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]amino]ethanol
CID 119060374
4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 159078071

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopentyl-1,4-diazepan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-(4-cyclopentyl-1,4-diazepan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine (CID 119061021) is 4-(4-cyclopentyl-1,4-diazepan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-cyclopentyl-1,4-diazepan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-cyclopentyl-1,4-diazepan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine is Nc1nc(C2CCOC2)cc(N2CCCN(C3CCCC3)CC2)n1.
What is the InChIKey of 4-(4-cyclopentyl-1,4-diazepan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine?
The InChIKey is CAWMDUGFKIJIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c19-18-20-16(14-6-11-24-13-14)12-17(21-18)23-8-3-7-22(9-10-23)15-4-1-2-5-15/h12,14-15H,1-11,13H2,(H2,19,20,21).
What are the key properties of 4-(4-cyclopentyl-1,4-diazepan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine?
4-(4-cyclopentyl-1,4-diazepan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine has a molecular weight of 331.46 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentyl-1,4-diazepan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 119061021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).