4-[3-(cyclopropylmethoxy)propylamino]-5-methoxy-1H-pyrimidin-6-one

C12H19N3O3 — CID 136764993

IUPAC4-[3-(cyclopropylmethoxy)propylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCCCOCC2CC2)nc[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-17-10-11(14-8-15-12(10)16)13-5-2-6-18-7-9-3-4-9/h8-9H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyVSZJQGSFBSMYTG-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.01
Rot. Bonds8

About 4-[3-(cyclopropylmethoxy)propylamino]-5-methoxy-1H-pyrimidin-6-one

4-[3-(cyclopropylmethoxy)propylamino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136764993) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-[3-(cyclopropylmethoxy)propylamino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(cyclopropylmethoxy)propylamino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136764993
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-[3-(cyclopropylmethoxy)propylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCCCOCC2CC2)nc[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-17-10-11(14-8-15-12(10)16)13-5-2-6-18-7-9-3-4-9/h8-9H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyVSZJQGSFBSMYTG-UHFFFAOYSA-N
XLogP1.01
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclopropylmethoxy)-5-methoxy-1H-pyrimidin-6-one
CID 103240772
5-methoxy-4-(propylamino)-1H-pyrimidin-6-one
CID 136294603
4-[(3-ethoxycyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136696625
5-methoxy-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723589
5-methoxy-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764965
5-methoxy-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136764974
4-[2-(cyclopropylmethoxy)ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136764983
5-methoxy-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820288
4-(2,3-dimethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136852190
5-methoxy-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852210
4-[(2-ethylcyclopropyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136857215
5-methoxy-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one
CID 136883387

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopropylmethoxy)propylamino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(cyclopropylmethoxy)propylamino]-5-methoxy-1H-pyrimidin-6-one (CID 136764993) is 4-[3-(cyclopropylmethoxy)propylamino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(cyclopropylmethoxy)propylamino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(cyclopropylmethoxy)propylamino]-5-methoxy-1H-pyrimidin-6-one is COc1c(NCCCOCC2CC2)nc[nH]c1=O.
What is the InChIKey of 4-[3-(cyclopropylmethoxy)propylamino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is VSZJQGSFBSMYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-17-10-11(14-8-15-12(10)16)13-5-2-6-18-7-9-3-4-9/h8-9H,2-7H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-[3-(cyclopropylmethoxy)propylamino]-5-methoxy-1H-pyrimidin-6-one?
4-[3-(cyclopropylmethoxy)propylamino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 253.30 g/mol, XLogP of 1.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopropylmethoxy)propylamino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136764993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).