5-methoxy-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one

C10H15N3O2 — CID 136852210

IUPAC5-methoxy-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCC2(C)CC2)nc[nH]c1=O
InChIInChI=1S/C10H15N3O2/c1-10(3-4-10)5-11-8-7(15-2)9(14)13-6-12-8/h6H,3-5H2,1-2H3,(H2,11,12,13,14)
InChIKeyPMPSCLWSJHEJQY-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.99
Rot. Bonds4

About 5-methoxy-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one

5-methoxy-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136852210) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-methoxy-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136852210
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name5-methoxy-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCC2(C)CC2)nc[nH]c1=O
InChIInChI=1S/C10H15N3O2/c1-10(3-4-10)5-11-8-7(15-2)9(14)13-6-12-8/h6H,3-5H2,1-2H3,(H2,11,12,13,14)
InChIKeyPMPSCLWSJHEJQY-UHFFFAOYSA-N
XLogP0.99
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136976591
4-(butan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136973502
5-methoxy-4-[methyl(propyl)amino]-1H-pyrimidin-6-one
CID 137009086
4-(ethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136294602
5-methoxy-4-(propylamino)-1H-pyrimidin-6-one
CID 136294603
4-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136689847
5-methoxy-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696644
5-methoxy-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723589
5-methoxy-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750472
5-methoxy-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756212
5-methoxy-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136762574
4-[2-(cyclopropylmethoxy)ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136764983

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one (CID 136852210) is 5-methoxy-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one is COc1c(NCC2(C)CC2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is PMPSCLWSJHEJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-10(3-4-10)5-11-8-7(15-2)9(14)13-6-12-8/h6H,3-5H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 5-methoxy-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
5-methoxy-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136852210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).