5-chloro-2-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidine-2,4-diamine

C13H18ClN7 — CID 166452178

IUPAC5-chloro-2-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidine-2,4-diamine
SMILESNc1nc(Nc2cnn(CCN3CCCC3)c2)ncc1Cl
InChIInChI=1S/C13H18ClN7/c14-11-8-16-13(19-12(11)15)18-10-7-17-21(9-10)6-5-20-3-1-2-4-20/h7-9H,1-6H2,(H3,15,16,18,19)
InChIKeyGYDPZRXXCUSKDP-UHFFFAOYSA-N
MW307.79 g/mol
LogP1.75
Rot. Bonds5

About 5-chloro-2-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidine-2,4-diamine

5-chloro-2-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidine-2,4-diamine (PubChem CID 166452178) has the molecular formula C13H18ClN7 and a molecular weight of 307.79 g/mol. Its IUPAC name is 5-chloro-2-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidine-2,4-diamine
PubChem CID166452178
Molecular FormulaC13H18ClN7
Molecular Weight307.79 g/mol
Exact Mass307.13
IUPAC Name5-chloro-2-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidine-2,4-diamine
SMILESNc1nc(Nc2cnn(CCN3CCCC3)c2)ncc1Cl
InChIInChI=1S/C13H18ClN7/c14-11-8-16-13(19-12(11)15)18-10-7-17-21(9-10)6-5-20-3-1-2-4-20/h7-9H,1-6H2,(H3,15,16,18,19)
InChIKeyGYDPZRXXCUSKDP-UHFFFAOYSA-N
XLogP1.75
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(3-aminopropyl)-5-cyclopropyl-2-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyrimidine-2,4-diamine
CID 68624384
(1S,2R,3S,4R)-3-[[5-chloro-2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]bicyclo[2.2.1]heptane-2-carboxamide
CID 68785928
1-[2-[[[5-chloro-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]prop-2-en-1-one
CID 78132610
2-[4-[[5-chloro-4-[(1-methylsulfonylpiperidin-2-yl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol
CID 78132612
7-bromo-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine
CID 135252350
1-[[5-chloro-2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 123890278
1-[(2R)-2-[[[5-chloro-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]ethanone
CID 71612413
1-[(2S)-2-[[[5-chloro-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]prop-2-en-1-one
CID 71612545
5-chloro-4-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 71611355
2-[4-[[5-chloro-4-[[(2S)-1-ethenylsulfonylpyrrolidin-2-yl]methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol
CID 71610551
6-bromo-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]quinazolin-4-amine
CID 133446921
1-[(2S)-2-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone
CID 71610821

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidine-2,4-diamine (CID 166452178) is 5-chloro-2-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidine-2,4-diamine is Nc1nc(Nc2cnn(CCN3CCCC3)c2)ncc1Cl.
What is the InChIKey of 5-chloro-2-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidine-2,4-diamine?
The InChIKey is GYDPZRXXCUSKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN7/c14-11-8-16-13(19-12(11)15)18-10-7-17-21(9-10)6-5-20-3-1-2-4-20/h7-9H,1-6H2,(H3,15,16,18,19).
What are the key properties of 5-chloro-2-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidine-2,4-diamine?
5-chloro-2-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidine-2,4-diamine has a molecular weight of 307.79 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 166452178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).