5-amino-4-[(1-amino-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one

C11H21N5O — CID 136848638

IUPAC5-amino-4-[(1-amino-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one
SMILESCC(C)(C)C(CCN)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C11H21N5O/c1-11(2,3)7(4-5-12)16-9-8(13)10(17)15-6-14-9/h6-7H,4-5,12-13H2,1-3H3,(H2,14,15,16,17)
InChIKeyYZGQAZYHWWXASO-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.53
Rot. Bonds4

About 5-amino-4-[(1-amino-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one

5-amino-4-[(1-amino-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136848638) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-amino-4-[(1-amino-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(1-amino-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136848638
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name5-amino-4-[(1-amino-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one
SMILESCC(C)(C)C(CCN)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C11H21N5O/c1-11(2,3)7(4-5-12)16-9-8(13)10(17)15-6-14-9/h6-7H,4-5,12-13H2,1-3H3,(H2,14,15,16,17)
InChIKeyYZGQAZYHWWXASO-UHFFFAOYSA-N
XLogP0.53
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-diamino-4-[[(2S)-2-aminopentyl]amino]-1H-pyrimidin-6-one
CID 135524426
2,5-diamino-4-(1-aminopentylamino)-1H-pyrimidin-6-one
CID 135584213
4,5-bis(pentylamino)-1H-pyrimidin-6-one
CID 136423435
2,5-diamino-4-[[(1S)-1-aminopentyl]amino]-1H-pyrimidin-6-one
CID 140365223
5-amino-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 135568323
5-amino-4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 135575706
5-amino-4-(cyclopentylamino)-1H-pyrimidin-6-one
CID 135575723
5-Amino-6-(cyclohexylamino)pyrimidin-4(3H)-one
CID 135741811
2-amino-6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride
CID 136650499
2-amino-6-(2,2-dimethylpropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 136650500
5-amino-4-(5-aminopentylamino)-1H-pyrimidin-6-one
CID 136689854
5-amino-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136723579

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(1-amino-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(1-amino-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one (CID 136848638) is 5-amino-4-[(1-amino-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(1-amino-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(1-amino-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one is CC(C)(C)C(CCN)Nc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(1-amino-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is YZGQAZYHWWXASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-11(2,3)7(4-5-12)16-9-8(13)10(17)15-6-14-9/h6-7H,4-5,12-13H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 5-amino-4-[(1-amino-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(1-amino-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 239.32 g/mol, XLogP of 0.53, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(1-amino-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136848638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).