4-(azocan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine

C15H24N4O — CID 119059512

IUPAC4-(azocan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine
SMILESNc1nc(C2CCOC2)cc(N2CCCCCCC2)n1
InChIInChI=1S/C15H24N4O/c16-15-17-13(12-6-9-20-11-12)10-14(18-15)19-7-4-2-1-3-5-8-19/h10,12H,1-9,11H2,(H2,16,17,18)
InChIKeyRDUXBMRPXHHZMP-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.33
Rot. Bonds2

About 4-(azocan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine

4-(azocan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine (PubChem CID 119059512) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(azocan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(azocan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine
PubChem CID119059512
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-(azocan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine
SMILESNc1nc(C2CCOC2)cc(N2CCCCCCC2)n1
InChIInChI=1S/C15H24N4O/c16-15-17-13(12-6-9-20-11-12)10-14(18-15)19-7-4-2-1-3-5-8-19/h10,12H,1-9,11H2,(H2,16,17,18)
InChIKeyRDUXBMRPXHHZMP-UHFFFAOYSA-N
XLogP2.33
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-cyclopentyl-1,4-diazepan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine
CID 119061021
[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
1-[4-(azepan-1-yl)-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]azetidin-3-ol
CID 126426815
3-[1-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]phenol
CID 126447690
4-[4-(4-methylphenoxy)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine
CID 126436493
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
4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine
CID 126433878
2-[[4-[(3R)-oxolan-3-yl]-6-piperidin-1-ylpyrimidin-2-yl]amino]ethanol
CID 126431392
4-[(3S)-oxolan-3-yl]-6-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidin-2-amine
CID 126430353
1-[2-methyl-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-1,4-diazepane
CID 126440152

Frequently Asked Questions

What is the IUPAC name of 4-(azocan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-(azocan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine (CID 119059512) is 4-(azocan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(azocan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(azocan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine is Nc1nc(C2CCOC2)cc(N2CCCCCCC2)n1.
What is the InChIKey of 4-(azocan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine?
The InChIKey is RDUXBMRPXHHZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c16-15-17-13(12-6-9-20-11-12)10-14(18-15)19-7-4-2-1-3-5-8-19/h10,12H,1-9,11H2,(H2,16,17,18).
What are the key properties of 4-(azocan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine?
4-(azocan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine has a molecular weight of 276.38 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azocan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 119059512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).