2-cyclopropyl-4-[3-(cyclopropylmethoxy)propylamino]-1H-pyrimidin-6-one

C14H21N3O2 — CID 136764995

IUPAC2-cyclopropyl-4-[3-(cyclopropylmethoxy)propylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCCCOCC2CC2)nc(C2CC2)[nH]1
InChIInChI=1S/C14H21N3O2/c18-13-8-12(16-14(17-13)11-4-5-11)15-6-1-7-19-9-10-2-3-10/h8,10-11H,1-7,9H2,(H2,15,16,17,18)
InChIKeyAKVXICTYLQAWFD-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.88
Rot. Bonds8

About 2-cyclopropyl-4-[3-(cyclopropylmethoxy)propylamino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[3-(cyclopropylmethoxy)propylamino]-1H-pyrimidin-6-one (PubChem CID 136764995) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-cyclopropyl-4-[3-(cyclopropylmethoxy)propylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[3-(cyclopropylmethoxy)propylamino]-1H-pyrimidin-6-one
PubChem CID136764995
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-cyclopropyl-4-[3-(cyclopropylmethoxy)propylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCCCOCC2CC2)nc(C2CC2)[nH]1
InChIInChI=1S/C14H21N3O2/c18-13-8-12(16-14(17-13)11-4-5-11)15-6-1-7-19-9-10-2-3-10/h8,10-11H,1-7,9H2,(H2,15,16,17,18)
InChIKeyAKVXICTYLQAWFD-UHFFFAOYSA-N
XLogP1.88
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696628
4-[(4-methoxy-2,2-dimethylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136723591
2-cyclopropyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723592
2-cyclopropyl-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730530
4-[3-(2-aminoethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136730544
4-[3-(2-aminoethoxy)propylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136730546
2-cyclopropyl-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756216
2-ethyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764963
2-methyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764964
4-[3-(2-methylpropoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136764967
2-cyclopropyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764968
4-[3-(2-methoxyethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136764976

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[3-(cyclopropylmethoxy)propylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[3-(cyclopropylmethoxy)propylamino]-1H-pyrimidin-6-one (CID 136764995) is 2-cyclopropyl-4-[3-(cyclopropylmethoxy)propylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[3-(cyclopropylmethoxy)propylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[3-(cyclopropylmethoxy)propylamino]-1H-pyrimidin-6-one is O=c1cc(NCCCOCC2CC2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-[3-(cyclopropylmethoxy)propylamino]-1H-pyrimidin-6-one?
The InChIKey is AKVXICTYLQAWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-13-8-12(16-14(17-13)11-4-5-11)15-6-1-7-19-9-10-2-3-10/h8,10-11H,1-7,9H2,(H2,15,16,17,18).
What are the key properties of 2-cyclopropyl-4-[3-(cyclopropylmethoxy)propylamino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[3-(cyclopropylmethoxy)propylamino]-1H-pyrimidin-6-one has a molecular weight of 263.34 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[3-(cyclopropylmethoxy)propylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136764995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).