6-N-ethyl-2-[4-(methylamino)phenyl]sulfanyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine

C17H21N7S — CID 143459404

IUPAC6-N-ethyl-2-[4-(methylamino)phenyl]sulfanyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC)cc2)n1
InChIInChI=1S/C17H21N7S/c1-4-19-14-10-15(20-16-9-11(2)23-24-16)22-17(21-14)25-13-7-5-12(18-3)6-8-13/h5-10,18H,4H2,1-3H3,(H3,19,20,21,22,23,24)
InChIKeyUEKMSKJEVLBJAW-UHFFFAOYSA-N
MW355.47 g/mol
LogP3.88
Rot. Bonds7

About 6-N-ethyl-2-[4-(methylamino)phenyl]sulfanyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine

6-N-ethyl-2-[4-(methylamino)phenyl]sulfanyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine (PubChem CID 143459404) has the molecular formula C17H21N7S and a molecular weight of 355.47 g/mol. Its IUPAC name is 6-N-ethyl-2-[4-(methylamino)phenyl]sulfanyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2-[4-(methylamino)phenyl]sulfanyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine
PubChem CID143459404
Molecular FormulaC17H21N7S
Molecular Weight355.47 g/mol
Exact Mass355.16
IUPAC Name6-N-ethyl-2-[4-(methylamino)phenyl]sulfanyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC)cc2)n1
InChIInChI=1S/C17H21N7S/c1-4-19-14-10-15(20-16-9-11(2)23-24-16)22-17(21-14)25-13-7-5-12(18-3)6-8-13/h5-10,18H,4H2,1-3H3,(H3,19,20,21,22,23,24)
InChIKeyUEKMSKJEVLBJAW-UHFFFAOYSA-N
XLogP3.88
TPSA90.55 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 53.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-aminophenyl)sulfanyl-6-chloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 87510293
cyclopropanecarbaldehyde;methanamine;N-[2-[4-(methylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]-6-oxohexanamide
CID 143830608
N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(piperidin-4-ylamino)pyrimidin-2-yl]sulfanylphenyl]propanamide
CID 10411569
[4-methyl-1-[2-[4-(methylamino)phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]-3-propan-2-ylpyrrolidin-3-yl]methanol
CID 143459367
N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 10050769
6-[[2-(4-aminophenyl)sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]-N-hydroxyhexanamide
CID 87657923
N-[4-[4-(4-ethoxyphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]acetamide
CID 18765144
N-[4-[4-(4-hydroxyphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]acetamide
CID 135752524
2-(4-hydrazinylphenyl)sulfanyl-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 138461050
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(methylamino)phenyl]sulfanyl-6-N-(2-piperidin-1-ylpropyl)pyrimidine-4,6-diamine
CID 143459413
6-(4-fluoropiperidin-1-yl)-5-methoxy-2-[4-(methylamino)phenyl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 142603936
N-[4-[4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 24747174

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2-[4-(methylamino)phenyl]sulfanyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-2-[4-(methylamino)phenyl]sulfanyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine (CID 143459404) is 6-N-ethyl-2-[4-(methylamino)phenyl]sulfanyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-2-[4-(methylamino)phenyl]sulfanyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-2-[4-(methylamino)phenyl]sulfanyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine is CCNc1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC)cc2)n1.
What is the InChIKey of 6-N-ethyl-2-[4-(methylamino)phenyl]sulfanyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine?
The InChIKey is UEKMSKJEVLBJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7S/c1-4-19-14-10-15(20-16-9-11(2)23-24-16)22-17(21-14)25-13-7-5-12(18-3)6-8-13/h5-10,18H,4H2,1-3H3,(H3,19,20,21,22,23,24).
What are the key properties of 6-N-ethyl-2-[4-(methylamino)phenyl]sulfanyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine?
6-N-ethyl-2-[4-(methylamino)phenyl]sulfanyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine has a molecular weight of 355.47 g/mol, XLogP of 3.88, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2-[4-(methylamino)phenyl]sulfanyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 143459404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).