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

C13H20N4O2 — CID 136672450

IUPAC4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N(CC2CCCN2)C2CC2)nc[nH]c1=O
InChIInChI=1S/C13H20N4O2/c1-19-11-12(15-8-16-13(11)18)17(10-4-5-10)7-9-3-2-6-14-9/h8-10,14H,2-7H2,1H3,(H,15,16,18)
InChIKeySVRKMLLQTMOGNE-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.50
Rot. Bonds5

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

4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136672450) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136672450
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N(CC2CCCN2)C2CC2)nc[nH]c1=O
InChIInChI=1S/C13H20N4O2/c1-19-11-12(15-8-16-13(11)18)17(10-4-5-10)7-9-3-2-6-14-9/h8-10,14H,2-7H2,1H3,(H,15,16,18)
InChIKeySVRKMLLQTMOGNE-UHFFFAOYSA-N
XLogP0.50
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-amino-4-methylpyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136677201
5-methoxy-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679992
4-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136689847
4-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136726439
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-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136780996
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

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 136672450) is 4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one is COc1c(N(CC2CCCN2)C2CC2)nc[nH]c1=O.
What is the InChIKey of 4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is SVRKMLLQTMOGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-19-11-12(15-8-16-13(11)18)17(10-4-5-10)7-9-3-2-6-14-9/h8-10,14H,2-7H2,1H3,(H,15,16,18).
What are the key properties of 4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 264.33 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136672450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).