4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one

C14H22N4O2 — CID 136780996

IUPAC4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N(CC2CC2)CC2CCCN2)nc[nH]c1=O
InChIInChI=1S/C14H22N4O2/c1-20-12-13(16-9-17-14(12)19)18(7-10-4-5-10)8-11-3-2-6-15-11/h9-11,15H,2-8H2,1H3,(H,16,17,19)
InChIKeyQEWLUQZLQQOJCH-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.75
Rot. Bonds6

About 4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one

4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136780996) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136780996
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N(CC2CC2)CC2CCCN2)nc[nH]c1=O
InChIInChI=1S/C14H22N4O2/c1-20-12-13(16-9-17-14(12)19)18(7-10-4-5-10)8-11-3-2-6-15-11/h9-11,15H,2-8H2,1H3,(H,16,17,19)
InChIKeyQEWLUQZLQQOJCH-UHFFFAOYSA-N
XLogP0.75
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-amino-1-cyclopentylethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136672016
4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136672450
4-(3-amino-4-methylpyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136677201
4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136687969
5-methoxy-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731507
5-methoxy-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136734038
5-methoxy-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780973
4-[ethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136780980
5-methoxy-4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780988
4-[butyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136781005
5-methoxy-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781015
5-methoxy-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781025

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 136780996) is 4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one is COc1c(N(CC2CC2)CC2CCCN2)nc[nH]c1=O.
What is the InChIKey of 4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is QEWLUQZLQQOJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-20-12-13(16-9-17-14(12)19)18(7-10-4-5-10)8-11-3-2-6-15-11/h9-11,15H,2-8H2,1H3,(H,16,17,19).
What are the key properties of 4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 278.36 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136780996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).