4-amino-5-[(3-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one

C8H15N5O — CID 169130895

IUPAC4-amino-5-[(3-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one
SMILESCC(CN)CNc1c(N)nc[nH]c1=O
InChIInChI=1S/C8H15N5O/c1-5(2-9)3-11-6-7(10)12-4-13-8(6)14/h4-5,11H,2-3,9H2,1H3,(H3,10,12,13,14)
InChIKeyYDJIPMOQQVQRFM-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.64
Rot. Bonds4

About 4-amino-5-[(3-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one

4-amino-5-[(3-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one (PubChem CID 169130895) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-amino-5-[(3-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-[(3-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one
PubChem CID169130895
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name4-amino-5-[(3-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one
SMILESCC(CN)CNc1c(N)nc[nH]c1=O
InChIInChI=1S/C8H15N5O/c1-5(2-9)3-11-6-7(10)12-4-13-8(6)14/h4-5,11H,2-3,9H2,1H3,(H3,10,12,13,14)
InChIKeyYDJIPMOQQVQRFM-UHFFFAOYSA-N
XLogP-0.64
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[(3-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-5-[(3-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one (CID 169130895) is 4-amino-5-[(3-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-[(3-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-5-[(3-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one is CC(CN)CNc1c(N)nc[nH]c1=O.
What is the InChIKey of 4-amino-5-[(3-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The InChIKey is YDJIPMOQQVQRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-5(2-9)3-11-6-7(10)12-4-13-8(6)14/h4-5,11H,2-3,9H2,1H3,(H3,10,12,13,14).
What are the key properties of 4-amino-5-[(3-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one?
4-amino-5-[(3-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of -0.64, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[(3-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 169130895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).