N-(5-chloro-1-methylpyrazol-4-yl)-4-(6-tributylstannyl-2-pyridinyl)pyrimidin-2-amine

C25H37ClN6Sn — CID 170573605

IUPACN-(5-chloro-1-methylpyrazol-4-yl)-4-(6-tributylstannyl-2-pyridinyl)pyrimidin-2-amine
SMILESCCCC[Sn](CCCC)(CCCC)c1cccc(-c2ccnc(Nc3cnn(C)c3Cl)n2)n1
InChIInChI=1S/C13H10ClN6.3C4H9.Sn/c1-20-12(14)11(8-17-20)19-13-16-7-5-10(18-13)9-4-2-3-6-15-9;3*1-3-4-2;/h2-5,7-8H,1H3,(H,16,18,19);3*1,3-4H2,2H3;
InChIKeySKKYPKBNHMDQMT-UHFFFAOYSA-N
MW575.78 g/mol
LogP6.73
Rot. Bonds13

About N-(5-chloro-1-methylpyrazol-4-yl)-4-(6-tributylstannyl-2-pyridinyl)pyrimidin-2-amine

N-(5-chloro-1-methylpyrazol-4-yl)-4-(6-tributylstannyl-2-pyridinyl)pyrimidin-2-amine (PubChem CID 170573605) has the molecular formula C25H37ClN6Sn and a molecular weight of 575.78 g/mol. Its IUPAC name is N-(5-chloro-1-methylpyrazol-4-yl)-4-(6-tributylstannyl-2-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(5-chloro-1-methylpyrazol-4-yl)-4-(6-tributylstannyl-2-pyridinyl)pyrimidin-2-amine
PubChem CID170573605
Molecular FormulaC25H37ClN6Sn
Molecular Weight575.78 g/mol
Exact Mass576.18
IUPAC NameN-(5-chloro-1-methylpyrazol-4-yl)-4-(6-tributylstannyl-2-pyridinyl)pyrimidin-2-amine
SMILESCCCC[Sn](CCCC)(CCCC)c1cccc(-c2ccnc(Nc3cnn(C)c3Cl)n2)n1
InChIInChI=1S/C13H10ClN6.3C4H9.Sn/c1-20-12(14)11(8-17-20)19-13-16-7-5-10(18-13)9-4-2-3-6-15-9;3*1-3-4-2;/h2-5,7-8H,1H3,(H,16,18,19);3*1,3-4H2,2H3;
InChIKeySKKYPKBNHMDQMT-UHFFFAOYSA-N
XLogP6.73
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.78
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-chloro-1-methylpyrazol-4-yl)-4-(6-tributylstannyl-2-pyridinyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tributyl-[6-(1-methylindazol-5-yl)-2-pyridinyl]stannane
CID 86700373
dibutyl-pentyl-(6-pyridin-2-yl-2-pyridinyl)stannane
CID 144702950
(3R)-3-[3-[6-[2-[(5-chloro-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170380619
(3S)-3-[5-[6-[2-[(5-chloro-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-yl]-1-methylpyrrolidin-2-one
CID 170379273
(3R)-3-[5-[6-[2-[(5-chloro-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-3-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170573518
N-(5-chloro-1-methylpyrazol-4-yl)-6-methylquinazolin-2-amine
CID 175881515
tributyl-(6-methylsulfonyl-2-pyridinyl)stannane
CID 59693803
5-butylnonan-5-yl-[6-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]tin
CID 176655110
4-(2-butyl-3-methylimidazol-4-yl)-N-phenylpyrimidin-2-amine
CID 69314565
2-N-butyl-4-N-(2,6-dichlorophenyl)pyrimidine-2,4-diamine
CID 112883132
2-chloro-5-[2-[4-[(2,6-diethylphenyl)carbamoyl]-2-methylanilino]pyrimidin-4-yl]-1-methylpyrrole-3-carboxylic acid
CID 68754107
4-(1-methylpyrazol-4-yl)-N-phenylpyrimidin-2-amine
CID 104609504

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1-methylpyrazol-4-yl)-4-(6-tributylstannyl-2-pyridinyl)pyrimidin-2-amine?
The IUPAC name of N-(5-chloro-1-methylpyrazol-4-yl)-4-(6-tributylstannyl-2-pyridinyl)pyrimidin-2-amine (CID 170573605) is N-(5-chloro-1-methylpyrazol-4-yl)-4-(6-tributylstannyl-2-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for N-(5-chloro-1-methylpyrazol-4-yl)-4-(6-tributylstannyl-2-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for N-(5-chloro-1-methylpyrazol-4-yl)-4-(6-tributylstannyl-2-pyridinyl)pyrimidin-2-amine is CCCC[Sn](CCCC)(CCCC)c1cccc(-c2ccnc(Nc3cnn(C)c3Cl)n2)n1.
What is the InChIKey of N-(5-chloro-1-methylpyrazol-4-yl)-4-(6-tributylstannyl-2-pyridinyl)pyrimidin-2-amine?
The InChIKey is SKKYPKBNHMDQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN6.3C4H9.Sn/c1-20-12(14)11(8-17-20)19-13-16-7-5-10(18-13)9-4-2-3-6-15-9;3*1-3-4-2;/h2-5,7-8H,1H3,(H,16,18,19);3*1,3-4H2,2H3;.
What are the key properties of N-(5-chloro-1-methylpyrazol-4-yl)-4-(6-tributylstannyl-2-pyridinyl)pyrimidin-2-amine?
N-(5-chloro-1-methylpyrazol-4-yl)-4-(6-tributylstannyl-2-pyridinyl)pyrimidin-2-amine has a molecular weight of 575.78 g/mol, XLogP of 6.73, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1-methylpyrazol-4-yl)-4-(6-tributylstannyl-2-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 170573605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).