4-[[4-(aminomethyl)oxan-4-yl]amino]-5-chloro-1H-pyrimidin-6-one

C10H15ClN4O2 — CID 136819617

IUPAC4-[[4-(aminomethyl)oxan-4-yl]amino]-5-chloro-1H-pyrimidin-6-one
SMILESNCC1(Nc2nc[nH]c(=O)c2Cl)CCOCC1
InChIInChI=1S/C10H15ClN4O2/c11-7-8(13-6-14-9(7)16)15-10(5-12)1-3-17-4-2-10/h6H,1-5,12H2,(H2,13,14,15,16)
InChIKeyZSWRSDKCQYIVPG-UHFFFAOYSA-N
MW258.71 g/mol
LogP0.34
Rot. Bonds3

About 4-[[4-(aminomethyl)oxan-4-yl]amino]-5-chloro-1H-pyrimidin-6-one

4-[[4-(aminomethyl)oxan-4-yl]amino]-5-chloro-1H-pyrimidin-6-one (PubChem CID 136819617) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is 4-[[4-(aminomethyl)oxan-4-yl]amino]-5-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[4-(aminomethyl)oxan-4-yl]amino]-5-chloro-1H-pyrimidin-6-one
PubChem CID136819617
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC Name4-[[4-(aminomethyl)oxan-4-yl]amino]-5-chloro-1H-pyrimidin-6-one
SMILESNCC1(Nc2nc[nH]c(=O)c2Cl)CCOCC1
InChIInChI=1S/C10H15ClN4O2/c11-7-8(13-6-14-9(7)16)15-10(5-12)1-3-17-4-2-10/h6H,1-5,12H2,(H2,13,14,15,16)
InChIKeyZSWRSDKCQYIVPG-UHFFFAOYSA-N
XLogP0.34
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[4-(aminomethyl)oxan-4-yl]amino]-5-chloro-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136723603
5-chloro-4-[[4-(chloromethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
CID 136730482
5-chloro-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136738997
4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
CID 136819503
5-amino-4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
CID 136819535
4-[[4-(aminomethyl)oxan-4-yl]amino]-5-bromo-1H-pyrimidin-6-one
CID 136819575
5-chloro-4-[(3-methyloxan-3-yl)amino]-1H-pyrimidin-6-one
CID 136824071
5-chloro-4-[(4-methyloxan-4-yl)amino]-1H-pyrimidin-6-one
CID 136971603
5-chloro-4-(oxan-4-ylamino)-1H-pyrimidin-6-one
CID 136974087
5-amino-4-(oxan-4-ylmethylamino)-1H-pyrimidin-6-one
CID 136975718
5-chloro-4-(oxan-4-ylmethylamino)-1H-pyrimidin-6-one
CID 136975720
5-chloro-4-[1-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136977440

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(aminomethyl)oxan-4-yl]amino]-5-chloro-1H-pyrimidin-6-one?
The IUPAC name of 4-[[4-(aminomethyl)oxan-4-yl]amino]-5-chloro-1H-pyrimidin-6-one (CID 136819617) is 4-[[4-(aminomethyl)oxan-4-yl]amino]-5-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[4-(aminomethyl)oxan-4-yl]amino]-5-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[4-(aminomethyl)oxan-4-yl]amino]-5-chloro-1H-pyrimidin-6-one is NCC1(Nc2nc[nH]c(=O)c2Cl)CCOCC1.
What is the InChIKey of 4-[[4-(aminomethyl)oxan-4-yl]amino]-5-chloro-1H-pyrimidin-6-one?
The InChIKey is ZSWRSDKCQYIVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2/c11-7-8(13-6-14-9(7)16)15-10(5-12)1-3-17-4-2-10/h6H,1-5,12H2,(H2,13,14,15,16).
What are the key properties of 4-[[4-(aminomethyl)oxan-4-yl]amino]-5-chloro-1H-pyrimidin-6-one?
4-[[4-(aminomethyl)oxan-4-yl]amino]-5-chloro-1H-pyrimidin-6-one has a molecular weight of 258.71 g/mol, XLogP of 0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(aminomethyl)oxan-4-yl]amino]-5-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 136819617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).