4-[(5-amino-2,2-dimethylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one

C14H26N4O — CID 136857346

IUPAC4-[(5-amino-2,2-dimethylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCC(C)(C)CCCN)cc(=O)[nH]1
InChIInChI=1S/C14H26N4O/c1-10(2)13-17-11(8-12(19)18-13)16-9-14(3,4)6-5-7-15/h8,10H,5-7,9,15H2,1-4H3,(H2,16,17,18,19)
InChIKeyHGOODUZLAKKUBM-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.07
Rot. Bonds7

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

4-[(5-amino-2,2-dimethylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136857346) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-[(5-amino-2,2-dimethylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(5-amino-2,2-dimethylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136857346
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name4-[(5-amino-2,2-dimethylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCC(C)(C)CCCN)cc(=O)[nH]1
InChIInChI=1S/C14H26N4O/c1-10(2)13-17-11(8-12(19)18-13)16-9-14(3,4)6-5-7-15/h8,10H,5-7,9,15H2,1-4H3,(H2,16,17,18,19)
InChIKeyHGOODUZLAKKUBM-UHFFFAOYSA-N
XLogP2.07
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-2,2-dimethylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(5-amino-2,2-dimethylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136857346) is 4-[(5-amino-2,2-dimethylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(5-amino-2,2-dimethylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(5-amino-2,2-dimethylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NCC(C)(C)CCCN)cc(=O)[nH]1.
What is the InChIKey of 4-[(5-amino-2,2-dimethylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is HGOODUZLAKKUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-10(2)13-17-11(8-12(19)18-13)16-9-14(3,4)6-5-7-15/h8,10H,5-7,9,15H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 4-[(5-amino-2,2-dimethylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(5-amino-2,2-dimethylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 266.39 g/mol, XLogP of 2.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-2,2-dimethylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136857346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).