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

C11H17N3O2 — CID 136764989

IUPAC4-[3-(cyclopropylmethoxy)propylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCCCOCC2CC2)nc[nH]1
InChIInChI=1S/C11H17N3O2/c15-11-6-10(13-8-14-11)12-4-1-5-16-7-9-2-3-9/h6,8-9H,1-5,7H2,(H2,12,13,14,15)
InChIKeyIQNKCAMMEIOYRK-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.00
Rot. Bonds7

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

4-[3-(cyclopropylmethoxy)propylamino]-1H-pyrimidin-6-one (PubChem CID 136764989) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[3-(cyclopropylmethoxy)propylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(cyclopropylmethoxy)propylamino]-1H-pyrimidin-6-one
PubChem CID136764989
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[3-(cyclopropylmethoxy)propylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCCCOCC2CC2)nc[nH]1
InChIInChI=1S/C11H17N3O2/c15-11-6-10(13-8-14-11)12-4-1-5-16-7-9-2-3-9/h6,8-9H,1-5,7H2,(H2,12,13,14,15)
InChIKeyIQNKCAMMEIOYRK-UHFFFAOYSA-N
XLogP1.00
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.00
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

4-[3-(cyclopropylmethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one
CID 136689230
5-iodo-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136689231
4-[3-(2-aminoethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730539
4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764961
4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136764971
4-[2-(cyclopropylmethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136764980
5-bromo-4-[3-(cyclopropylmethoxy)propylamino]-1H-pyrimidin-6-one
CID 136764990
4-[3-(cyclopropylmethoxy)propylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136764991
4-[3-(cyclopropylmethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one
CID 136764992
4-[3-(cyclopropylmethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136764994
5-chloro-4-[3-(cyclopropylmethoxy)propylamino]-1H-pyrimidin-6-one
CID 136764996
4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136824090

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopropylmethoxy)propylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(cyclopropylmethoxy)propylamino]-1H-pyrimidin-6-one (CID 136764989) is 4-[3-(cyclopropylmethoxy)propylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(cyclopropylmethoxy)propylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(cyclopropylmethoxy)propylamino]-1H-pyrimidin-6-one is O=c1cc(NCCCOCC2CC2)nc[nH]1.
What is the InChIKey of 4-[3-(cyclopropylmethoxy)propylamino]-1H-pyrimidin-6-one?
The InChIKey is IQNKCAMMEIOYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-11-6-10(13-8-14-11)12-4-1-5-16-7-9-2-3-9/h6,8-9H,1-5,7H2,(H2,12,13,14,15).
What are the key properties of 4-[3-(cyclopropylmethoxy)propylamino]-1H-pyrimidin-6-one?
4-[3-(cyclopropylmethoxy)propylamino]-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopropylmethoxy)propylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136764989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).