4-[[4-(aminomethyl)oxan-4-yl]amino]-2-cyclopropyl-1H-pyrimidin-6-one

C13H20N4O2 — CID 136819623

IUPAC4-[[4-(aminomethyl)oxan-4-yl]amino]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNCC1(Nc2cc(=O)[nH]c(C3CC3)n2)CCOCC1
InChIInChI=1S/C13H20N4O2/c14-8-13(3-5-19-6-4-13)17-10-7-11(18)16-12(15-10)9-1-2-9/h7,9H,1-6,8,14H2,(H2,15,16,17,18)
InChIKeyMCDGIMSXVMMYBJ-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.57
Rot. Bonds4

About 4-[[4-(aminomethyl)oxan-4-yl]amino]-2-cyclopropyl-1H-pyrimidin-6-one

4-[[4-(aminomethyl)oxan-4-yl]amino]-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 136819623) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-[[4-(aminomethyl)oxan-4-yl]amino]-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[4-(aminomethyl)oxan-4-yl]amino]-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID136819623
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name4-[[4-(aminomethyl)oxan-4-yl]amino]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNCC1(Nc2cc(=O)[nH]c(C3CC3)n2)CCOCC1
InChIInChI=1S/C13H20N4O2/c14-8-13(3-5-19-6-4-13)17-10-7-11(18)16-12(15-10)9-1-2-9/h7,9H,1-6,8,14H2,(H2,15,16,17,18)
InChIKeyMCDGIMSXVMMYBJ-UHFFFAOYSA-N
XLogP0.57
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(cyclopropylamino)methyl]-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 136274285
4-[(tert-butylamino)methyl]-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 136274286
4-[(4-methyloxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136723601
2-cyclopropyl-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136723602
2-cyclopropyl-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136738998
4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
CID 136819503
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]-2-methyl-1H-pyrimidin-6-one
CID 136819634
2-ethyl-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136824102
2-methyl-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136824103
4-[1-(oxan-4-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136824105

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(aminomethyl)oxan-4-yl]amino]-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[[4-(aminomethyl)oxan-4-yl]amino]-2-cyclopropyl-1H-pyrimidin-6-one (CID 136819623) is 4-[[4-(aminomethyl)oxan-4-yl]amino]-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[4-(aminomethyl)oxan-4-yl]amino]-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[4-(aminomethyl)oxan-4-yl]amino]-2-cyclopropyl-1H-pyrimidin-6-one is NCC1(Nc2cc(=O)[nH]c(C3CC3)n2)CCOCC1.
What is the InChIKey of 4-[[4-(aminomethyl)oxan-4-yl]amino]-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is MCDGIMSXVMMYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c14-8-13(3-5-19-6-4-13)17-10-7-11(18)16-12(15-10)9-1-2-9/h7,9H,1-6,8,14H2,(H2,15,16,17,18).
What are the key properties of 4-[[4-(aminomethyl)oxan-4-yl]amino]-2-cyclopropyl-1H-pyrimidin-6-one?
4-[[4-(aminomethyl)oxan-4-yl]amino]-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 264.33 g/mol, XLogP of 0.57, 4 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]-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136819623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).