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

C10H17N5O — CID 136778293

IUPAC5-amino-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
SMILESCC1CC(Nc2nc[nH]c(=O)c2N)CCN1
InChIInChI=1S/C10H17N5O/c1-6-4-7(2-3-12-6)15-9-8(11)10(16)14-5-13-9/h5-7,12H,2-4,11H2,1H3,(H2,13,14,15,16)
InChIKeyWCRHLVGPXPHFAA-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.10
Rot. Bonds2

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

5-amino-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136778293) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-amino-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
PubChem CID136778293
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name5-amino-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
SMILESCC1CC(Nc2nc[nH]c(=O)c2N)CCN1
InChIInChI=1S/C10H17N5O/c1-6-4-7(2-3-12-6)15-9-8(11)10(16)14-5-13-9/h5-7,12H,2-4,11H2,1H3,(H2,13,14,15,16)
InChIKeyWCRHLVGPXPHFAA-UHFFFAOYSA-N
XLogP-0.10
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

6(s)-Propyl-tetrahydropterin
CID 135518060
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
9-(1-Propan-2-ylpiperidin-4-yl)-1,7-dihydropurine-6,8-dione
CID 135971554
4-amino-5-piperidin-1-yl-1H-pyrimidin-6-one
CID 136343863
4-(methylamino)-5-(octylamino)-1H-pyrimidin-6-one
CID 136348154
(6R)-2-amino-6-propyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 136389752
2-amino-6-propyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 136389753
4-amino-5-(pentylamino)-1H-pyrimidin-6-one
CID 136423385
4,5-bis(pentylamino)-1H-pyrimidin-6-one
CID 136423435
9-Piperidin-4-yl-1,7-dihydropurine-6,8-dione
CID 136612257
4-(piperidin-3-ylamino)-1H-pyrimidin-6-one
CID 136978103

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one (CID 136778293) is 5-amino-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one is CC1CC(Nc2nc[nH]c(=O)c2N)CCN1.
What is the InChIKey of 5-amino-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is WCRHLVGPXPHFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-6-4-7(2-3-12-6)15-9-8(11)10(16)14-5-13-9/h5-7,12H,2-4,11H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-amino-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of -0.10, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136778293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).