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

C10H16N4O2 — CID 136819503

IUPAC4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
SMILESNCC1(Nc2cc(=O)[nH]cn2)CCOCC1
InChIInChI=1S/C10H16N4O2/c11-6-10(1-3-16-4-2-10)14-8-5-9(15)13-7-12-8/h5,7H,1-4,6,11H2,(H2,12,13,14,15)
InChIKeyYXBJDRULZBHMDZ-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.31
Rot. Bonds3

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

4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one (PubChem CID 136819503) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
PubChem CID136819503
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
SMILESNCC1(Nc2cc(=O)[nH]cn2)CCOCC1
InChIInChI=1S/C10H16N4O2/c11-6-10(1-3-16-4-2-10)14-8-5-9(15)13-7-12-8/h5,7H,1-4,6,11H2,(H2,12,13,14,15)
InChIKeyYXBJDRULZBHMDZ-UHFFFAOYSA-N
XLogP-0.31
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136723600
4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136723605
4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136739000
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
4-[[4-(aminomethyl)oxan-4-yl]amino]-2-ethyl-1H-pyrimidin-6-one
CID 136819580
4-[[4-(aminomethyl)oxan-4-yl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136819582
4-[[4-(aminomethyl)oxan-4-yl]amino]-5-chloro-1H-pyrimidin-6-one
CID 136819617
4-[[4-(aminomethyl)oxan-4-yl]amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136819623
4-[[4-(aminomethyl)oxan-4-yl]amino]-2-methyl-1H-pyrimidin-6-one
CID 136819634
5-amino-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136824104
4-(oxan-4-ylamino)-1H-pyrimidin-6-one
CID 136956148

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one (CID 136819503) is 4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one is NCC1(Nc2cc(=O)[nH]cn2)CCOCC1.
What is the InChIKey of 4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one?
The InChIKey is YXBJDRULZBHMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c11-6-10(1-3-16-4-2-10)14-8-5-9(15)13-7-12-8/h5,7H,1-4,6,11H2,(H2,12,13,14,15).
What are the key properties of 4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one?
4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of -0.31, 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]-1H-pyrimidin-6-one is sourced from PubChem (CID 136819503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).