2-cyclopropyl-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one

C14H22N4O2 — CID 136781035

IUPAC2-cyclopropyl-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESO=c1cc(N(CCO)CC2CCCN2)nc(C2CC2)[nH]1
InChIInChI=1S/C14H22N4O2/c19-7-6-18(9-11-2-1-5-15-11)12-8-13(20)17-14(16-12)10-3-4-10/h8,10-11,15,19H,1-7,9H2,(H,16,17,20)
InChIKeyKJWPFMQXKWVKEI-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.20
Rot. Bonds6

About 2-cyclopropyl-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136781035) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-cyclopropyl-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
PubChem CID136781035
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-cyclopropyl-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESO=c1cc(N(CCO)CC2CCCN2)nc(C2CC2)[nH]1
InChIInChI=1S/C14H22N4O2/c19-7-6-18(9-11-2-1-5-15-11)12-8-13(20)17-14(16-12)10-3-4-10/h8,10-11,15,19H,1-7,9H2,(H,16,17,20)
InChIKeyKJWPFMQXKWVKEI-UHFFFAOYSA-N
XLogP0.20
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136672451
4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136672452
4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136672456
2-cyclopropyl-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136758197
2-cyclopropyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780966
2-cyclopropyl-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780974
2-propan-2-yl-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780979
2-cyclopropyl-4-[ethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780981
4-[ethyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136780987
2-cyclopropyl-4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780989
2-propan-2-yl-4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780995
2-cyclopropyl-4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780997

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (CID 136781035) is 2-cyclopropyl-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is O=c1cc(N(CCO)CC2CCCN2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is KJWPFMQXKWVKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c19-7-6-18(9-11-2-1-5-15-11)12-8-13(20)17-14(16-12)10-3-4-10/h8,10-11,15,19H,1-7,9H2,(H,16,17,20).
What are the key properties of 2-cyclopropyl-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 278.36 g/mol, XLogP of 0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136781035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).