5-amino-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one

C13H23N5O — CID 136805365

IUPAC5-amino-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
SMILESCCCN(CC1CCCNC1)c1nc[nH]c(=O)c1N
InChIInChI=1S/C13H23N5O/c1-2-6-18(8-10-4-3-5-15-7-10)12-11(14)13(19)17-9-16-12/h9-10,15H,2-8,14H2,1H3,(H,16,17,19)
InChIKeyOOOCKHPKZMQUOQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.57
Rot. Bonds5

About 5-amino-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one

5-amino-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one (PubChem CID 136805365) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-amino-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
PubChem CID136805365
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name5-amino-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
SMILESCCCN(CC1CCCNC1)c1nc[nH]c(=O)c1N
InChIInChI=1S/C13H23N5O/c1-2-6-18(8-10-4-3-5-15-7-10)12-11(14)13(19)17-9-16-12/h9-10,15H,2-8,14H2,1H3,(H,16,17,19)
InChIKeyOOOCKHPKZMQUOQ-UHFFFAOYSA-N
XLogP0.57
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136990019
5-amino-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009794
4,5-bis(pentylamino)-1H-pyrimidin-6-one
CID 136423435
5-Amino-1-(piperidin-3-ylmethyl)pyrimidin-4-one
CID 115114344
5-amino-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568286
5-amino-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568287
5-amino-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568288
5-amino-4-(2-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568289
5-amino-4-[bis(2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 135568292
5-amino-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one
CID 135568308
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

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one (CID 136805365) is 5-amino-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one is CCCN(CC1CCCNC1)c1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one?
The InChIKey is OOOCKHPKZMQUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-2-6-18(8-10-4-3-5-15-7-10)12-11(14)13(19)17-9-16-12/h9-10,15H,2-8,14H2,1H3,(H,16,17,19).
What are the key properties of 5-amino-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136805365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).