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

C11H19N5O2 — CID 136781037

IUPAC5-amino-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESNc1c(N(CCO)CC2CCCN2)nc[nH]c1=O
InChIInChI=1S/C11H19N5O2/c12-9-10(14-7-15-11(9)18)16(4-5-17)6-8-2-1-3-13-8/h7-8,13,17H,1-6,12H2,(H,14,15,18)
InChIKeyKFDMOKOIMUABGR-UHFFFAOYSA-N
MW253.31 g/mol
LogP-1.10
Rot. Bonds5

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

5-amino-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136781037) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 5-amino-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
PubChem CID136781037
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name5-amino-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESNc1c(N(CCO)CC2CCCN2)nc[nH]c1=O
InChIInChI=1S/C11H19N5O2/c12-9-10(14-7-15-11(9)18)16(4-5-17)6-8-2-1-3-13-8/h7-8,13,17H,1-6,12H2,(H,14,15,18)
InChIKeyKFDMOKOIMUABGR-UHFFFAOYSA-N
XLogP-1.10
TPSA107.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-bis[(2-amino-2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 136477344
5-amino-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731505
5-amino-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136758189
5-amino-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136766522
5-amino-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780967
5-amino-4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780991
5-amino-4-[butyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781008
5-amino-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781018
5-amino-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781028
5-iodo-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781032
4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136781034
4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136781038

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (CID 136781037) is 5-amino-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is Nc1c(N(CCO)CC2CCCN2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is KFDMOKOIMUABGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c12-9-10(14-7-15-11(9)18)16(4-5-17)6-8-2-1-3-13-8/h7-8,13,17H,1-6,12H2,(H,14,15,18).
What are the key properties of 5-amino-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 253.31 g/mol, XLogP of -1.10, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136781037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).