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

C13H21N5O — CID 136805355

IUPAC5-amino-4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESNc1c(N(CC2CCCNC2)C2CC2)nc[nH]c1=O
InChIInChI=1S/C13H21N5O/c14-11-12(16-8-17-13(11)19)18(10-3-4-10)7-9-2-1-5-15-6-9/h8-10,15H,1-7,14H2,(H,16,17,19)
InChIKeyVAMCQPJFCRDRLR-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.32
Rot. Bonds4

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

5-amino-4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136805355) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-amino-4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
PubChem CID136805355
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name5-amino-4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESNc1c(N(CC2CCCNC2)C2CC2)nc[nH]c1=O
InChIInChI=1S/C13H21N5O/c14-11-12(16-8-17-13(11)19)18(10-3-4-10)7-9-2-1-5-15-6-9/h8-10,15H,1-7,14H2,(H,16,17,19)
InChIKeyVAMCQPJFCRDRLR-UHFFFAOYSA-N
XLogP0.32
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.32
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
4(1H)-Pteridinone, 2-amino-6-cyclopropyl-5,6,7,8-tetrahydro-
CID 135406875
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-(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-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 135575726
5-amino-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 135786489
4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-5-amino-1H-pyrimidin-6-one
CID 136687962

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one (CID 136805355) is 5-amino-4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one is Nc1c(N(CC2CCCNC2)C2CC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is VAMCQPJFCRDRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c14-11-12(16-8-17-13(11)19)18(10-3-4-10)7-9-2-1-5-15-6-9/h8-10,15H,1-7,14H2,(H,16,17,19).
What are the key properties of 5-amino-4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 263.34 g/mol, XLogP of 0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136805355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).