5-amino-4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one

C9H15N5O — CID 136978978

IUPAC5-amino-4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESNCC1CCCN1c1nc[nH]c(=O)c1N
InChIInChI=1S/C9H15N5O/c10-4-6-2-1-3-14(6)8-7(11)9(15)13-5-12-8/h5-6H,1-4,10-11H2,(H,12,13,15)
InChIKeyXZECFWSCUKAPBV-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.72
Rot. Bonds2

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

5-amino-4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136978978) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-amino-4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136978978
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name5-amino-4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESNCC1CCCN1c1nc[nH]c(=O)c1N
InChIInChI=1S/C9H15N5O/c10-4-6-2-1-3-14(6)8-7(11)9(15)13-5-12-8/h5-6H,1-4,10-11H2,(H,12,13,15)
InChIKeyXZECFWSCUKAPBV-UHFFFAOYSA-N
XLogP-0.72
TPSA101.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-[2-(ethylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 137007904
4-[2-(aminomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136977760
5-amino-4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-1H-pyrimidin-6-one
CID 136869158
5-amino-4-[3-(aminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136972878
4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136978971
5-amino-4-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1H-pyrimidin-6-one
CID 136978294
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)azepane-2-carboxylic acid
CID 137015830
5-bromo-4-(2-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136970376
5-iodo-4-[2-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136979010
4-[2-(2-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136989360
4-[2-(2-bromopropyl)azepan-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136933993
5-amino-4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137009406

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one (CID 136978978) is 5-amino-4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one is NCC1CCCN1c1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is XZECFWSCUKAPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c10-4-6-2-1-3-14(6)8-7(11)9(15)13-5-12-8/h5-6H,1-4,10-11H2,(H,12,13,15).
What are the key properties of 5-amino-4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
5-amino-4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of -0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136978978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).