4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-(2-morpholin-4-ylethyl)phenyl]pyrimidine-2,4-diamine

C23H29N7O — CID 59757982

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-(2-morpholin-4-ylethyl)phenyl]pyrimidine-2,4-diamine
SMILESCc1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc(CCN3CCOCC3)cc2)n1
InChIInChI=1S/C23H29N7O/c1-16-14-21(26-22-15-20(28-29-22)18-4-5-18)27-23(24-16)25-19-6-2-17(3-7-19)8-9-30-10-12-31-13-11-30/h2-3,6-7,14-15,18H,4-5,8-13H2,1H3,(H3,24,25,26,27,28,29)
InChIKeyIQOFPZMAWFYRDN-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.75
Rot. Bonds8

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-(2-morpholin-4-ylethyl)phenyl]pyrimidine-2,4-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-(2-morpholin-4-ylethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 59757982) has the molecular formula C23H29N7O and a molecular weight of 419.53 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-(2-morpholin-4-ylethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-(2-morpholin-4-ylethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID59757982
Molecular FormulaC23H29N7O
Molecular Weight419.53 g/mol
Exact Mass419.24
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-(2-morpholin-4-ylethyl)phenyl]pyrimidine-2,4-diamine
SMILESCc1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc(CCN3CCOCC3)cc2)n1
InChIInChI=1S/C23H29N7O/c1-16-14-21(26-22-15-20(28-29-22)18-4-5-18)27-23(24-16)25-19-6-2-17(3-7-19)8-9-30-10-12-31-13-11-30/h2-3,6-7,14-15,18H,4-5,8-13H2,1H3,(H3,24,25,26,27,28,29)
InChIKeyIQOFPZMAWFYRDN-UHFFFAOYSA-N
XLogP3.75
TPSA90.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-(2-morpholin-4-ylethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-(2-morpholin-4-ylethyl)phenyl]pyrimidine-2,4-diamine (CID 59757982) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-(2-morpholin-4-ylethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-(2-morpholin-4-ylethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-(2-morpholin-4-ylethyl)phenyl]pyrimidine-2,4-diamine is Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc(CCN3CCOCC3)cc2)n1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-(2-morpholin-4-ylethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is IQOFPZMAWFYRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O/c1-16-14-21(26-22-15-20(28-29-22)18-4-5-18)27-23(24-16)25-19-6-2-17(3-7-19)8-9-30-10-12-31-13-11-30/h2-3,6-7,14-15,18H,4-5,8-13H2,1H3,(H3,24,25,26,27,28,29).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-(2-morpholin-4-ylethyl)phenyl]pyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-(2-morpholin-4-ylethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 419.53 g/mol, XLogP of 3.75, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-(2-morpholin-4-ylethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 59757982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).