5-amino-N-(3-ethylpentan-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide

C15H26N4O — CID 65042334

IUPAC5-amino-N-(3-ethylpentan-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCC(CC)(CC)NC(=O)c1nc(C(C)C)ncc1N
InChIInChI=1S/C15H26N4O/c1-6-15(7-2,8-3)19-14(20)12-11(16)9-17-13(18-12)10(4)5/h9-10H,6-8,16H2,1-5H3,(H,19,20)
InChIKeyDSQPQSNQZHOUPR-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.88
Rot. Bonds6

About 5-amino-N-(3-ethylpentan-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide

5-amino-N-(3-ethylpentan-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 65042334) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-amino-N-(3-ethylpentan-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-ethylpentan-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID65042334
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name5-amino-N-(3-ethylpentan-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCC(CC)(CC)NC(=O)c1nc(C(C)C)ncc1N
InChIInChI=1S/C15H26N4O/c1-6-15(7-2,8-3)19-14(20)12-11(16)9-17-13(18-12)10(4)5/h9-10H,6-8,16H2,1-5H3,(H,19,20)
InChIKeyDSQPQSNQZHOUPR-UHFFFAOYSA-N
XLogP2.88
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-ethylpentan-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-amino-N-(3-ethylpentan-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide (CID 65042334) is 5-amino-N-(3-ethylpentan-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-N-(3-ethylpentan-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-N-(3-ethylpentan-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide is CCC(CC)(CC)NC(=O)c1nc(C(C)C)ncc1N.
What is the InChIKey of 5-amino-N-(3-ethylpentan-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is DSQPQSNQZHOUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-6-15(7-2,8-3)19-14(20)12-11(16)9-17-13(18-12)10(4)5/h9-10H,6-8,16H2,1-5H3,(H,19,20).
What are the key properties of 5-amino-N-(3-ethylpentan-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
5-amino-N-(3-ethylpentan-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-ethylpentan-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 65042334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).