4-[(1-amino-4-methylpentan-3-yl)amino]-5-chloro-1H-pyrimidin-6-one

C10H17ClN4O — CID 136848625

IUPAC4-[(1-amino-4-methylpentan-3-yl)amino]-5-chloro-1H-pyrimidin-6-one
SMILESCC(C)C(CCN)Nc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H17ClN4O/c1-6(2)7(3-4-12)15-9-8(11)10(16)14-5-13-9/h5-7H,3-4,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyAOHQBXFNWINMDK-UHFFFAOYSA-N
MW244.73 g/mol
LogP1.21
Rot. Bonds5

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

4-[(1-amino-4-methylpentan-3-yl)amino]-5-chloro-1H-pyrimidin-6-one (PubChem CID 136848625) has the molecular formula C10H17ClN4O and a molecular weight of 244.73 g/mol. Its IUPAC name is 4-[(1-amino-4-methylpentan-3-yl)amino]-5-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-amino-4-methylpentan-3-yl)amino]-5-chloro-1H-pyrimidin-6-one
PubChem CID136848625
Molecular FormulaC10H17ClN4O
Molecular Weight244.73 g/mol
Exact Mass244.11
IUPAC Name4-[(1-amino-4-methylpentan-3-yl)amino]-5-chloro-1H-pyrimidin-6-one
SMILESCC(C)C(CCN)Nc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H17ClN4O/c1-6(2)7(3-4-12)15-9-8(11)10(16)14-5-13-9/h5-7H,3-4,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyAOHQBXFNWINMDK-UHFFFAOYSA-N
XLogP1.21
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-aminopentylamino)-5-chloro-1H-pyrimidin-6-one
CID 136689845
5-chloro-4-(7-methyloctylamino)-1H-pyrimidin-6-one
CID 136701813
4-[2-(2-aminoethyl)pentylamino]-5-chloro-1H-pyrimidin-6-one
CID 136704106
5-chloro-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one
CID 136716231
5-chloro-4-(octan-4-ylamino)-1H-pyrimidin-6-one
CID 136731496
5-chloro-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750469
4-(6-aminohexylamino)-5-chloro-1H-pyrimidin-6-one
CID 136755778
4-[(1-amino-3-methylpentan-3-yl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136757239
5-chloro-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
CID 136757524
5-chloro-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778294
5-chloro-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781021
5-chloro-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805330

Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-4-methylpentan-3-yl)amino]-5-chloro-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-amino-4-methylpentan-3-yl)amino]-5-chloro-1H-pyrimidin-6-one (CID 136848625) is 4-[(1-amino-4-methylpentan-3-yl)amino]-5-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-amino-4-methylpentan-3-yl)amino]-5-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-amino-4-methylpentan-3-yl)amino]-5-chloro-1H-pyrimidin-6-one is CC(C)C(CCN)Nc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 4-[(1-amino-4-methylpentan-3-yl)amino]-5-chloro-1H-pyrimidin-6-one?
The InChIKey is AOHQBXFNWINMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O/c1-6(2)7(3-4-12)15-9-8(11)10(16)14-5-13-9/h5-7H,3-4,12H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-[(1-amino-4-methylpentan-3-yl)amino]-5-chloro-1H-pyrimidin-6-one?
4-[(1-amino-4-methylpentan-3-yl)amino]-5-chloro-1H-pyrimidin-6-one has a molecular weight of 244.73 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-4-methylpentan-3-yl)amino]-5-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 136848625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).