N-but-3-yn-2-yl-2-propan-2-ylpyrimidin-4-amine

C11H15N3 — CID 130621650

IUPACN-but-3-yn-2-yl-2-propan-2-ylpyrimidin-4-amine
SMILESC#CC(C)Nc1ccnc(C(C)C)n1
InChIInChI=1S/C11H15N3/c1-5-9(4)13-10-6-7-12-11(14-10)8(2)3/h1,6-9H,2-4H3,(H,12,13,14)
InChIKeyCZRJNKWTCPLIHF-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.03
Rot. Bonds3

About N-but-3-yn-2-yl-2-propan-2-ylpyrimidin-4-amine

N-but-3-yn-2-yl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 130621650) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is N-but-3-yn-2-yl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-but-3-yn-2-yl-2-propan-2-ylpyrimidin-4-amine
PubChem CID130621650
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC NameN-but-3-yn-2-yl-2-propan-2-ylpyrimidin-4-amine
SMILESC#CC(C)Nc1ccnc(C(C)C)n1
InChIInChI=1S/C11H15N3/c1-5-9(4)13-10-6-7-12-11(14-10)8(2)3/h1,6-9H,2-4H3,(H,12,13,14)
InChIKeyCZRJNKWTCPLIHF-UHFFFAOYSA-N
XLogP2.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 133434731
N-cyclopropyl-2-propan-2-ylpyrimidin-4-amine
CID 130920544
N'-(2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 83828266
N-but-3-yn-2-ylpyridazin-3-amine
CID 114383010
N-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 133290907
N-but-3-yn-2-yl-4-nitropyridin-2-amine
CID 114418011
N-but-3-yn-2-ylpyrimidin-2-amine
CID 114382924
N-benzyl-2-propan-2-ylpyrimidin-4-amine
CID 164867803
2-[(2-propan-2-ylpyrimidin-4-yl)amino]hexanoic acid
CID 122060352
(2S)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]hexanoic acid
CID 122062866
N-[(4-ethylphenyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 133304175
N-(5-bromo-2-pyridinyl)-2-propan-2-ylpyrimidin-4-amine
CID 139594069

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-but-3-yn-2-yl-2-propan-2-ylpyrimidin-4-amine (CID 130621650) is N-but-3-yn-2-yl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-but-3-yn-2-yl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-but-3-yn-2-yl-2-propan-2-ylpyrimidin-4-amine is C#CC(C)Nc1ccnc(C(C)C)n1.
What is the InChIKey of N-but-3-yn-2-yl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is CZRJNKWTCPLIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-5-9(4)13-10-6-7-12-11(14-10)8(2)3/h1,6-9H,2-4H3,(H,12,13,14).
What are the key properties of N-but-3-yn-2-yl-2-propan-2-ylpyrimidin-4-amine?
N-but-3-yn-2-yl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 189.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 130621650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).