4-N-cyclopropyl-6-N-(6-methoxy-1H-indazol-5-yl)-5-methylpyrimidine-4,6-diamine

C16H18N6O — CID 175369244

IUPAC4-N-cyclopropyl-6-N-(6-methoxy-1H-indazol-5-yl)-5-methylpyrimidine-4,6-diamine
SMILESCOc1cc2[nH]ncc2cc1Nc1ncnc(NC2CC2)c1C
InChIInChI=1S/C16H18N6O/c1-9-15(20-11-3-4-11)17-8-18-16(9)21-13-5-10-7-19-22-12(10)6-14(13)23-2/h5-8,11H,3-4H2,1-2H3,(H,19,22)(H2,17,18,20,21)
InChIKeySZYZVTTUBGYMCR-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.99
Rot. Bonds5

About 4-N-cyclopropyl-6-N-(6-methoxy-1H-indazol-5-yl)-5-methylpyrimidine-4,6-diamine

4-N-cyclopropyl-6-N-(6-methoxy-1H-indazol-5-yl)-5-methylpyrimidine-4,6-diamine (PubChem CID 175369244) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-N-(6-methoxy-1H-indazol-5-yl)-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-N-(6-methoxy-1H-indazol-5-yl)-5-methylpyrimidine-4,6-diamine
PubChem CID175369244
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name4-N-cyclopropyl-6-N-(6-methoxy-1H-indazol-5-yl)-5-methylpyrimidine-4,6-diamine
SMILESCOc1cc2[nH]ncc2cc1Nc1ncnc(NC2CC2)c1C
InChIInChI=1S/C16H18N6O/c1-9-15(20-11-3-4-11)17-8-18-16(9)21-13-5-10-7-19-22-12(10)6-14(13)23-2/h5-8,11H,3-4H2,1-2H3,(H,19,22)(H2,17,18,20,21)
InChIKeySZYZVTTUBGYMCR-UHFFFAOYSA-N
XLogP2.99
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-N-(6-methoxy-1H-indazol-5-yl)-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-6-N-(6-methoxy-1H-indazol-5-yl)-5-methylpyrimidine-4,6-diamine (CID 175369244) is 4-N-cyclopropyl-6-N-(6-methoxy-1H-indazol-5-yl)-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-N-(6-methoxy-1H-indazol-5-yl)-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-N-(6-methoxy-1H-indazol-5-yl)-5-methylpyrimidine-4,6-diamine is COc1cc2[nH]ncc2cc1Nc1ncnc(NC2CC2)c1C.
What is the InChIKey of 4-N-cyclopropyl-6-N-(6-methoxy-1H-indazol-5-yl)-5-methylpyrimidine-4,6-diamine?
The InChIKey is SZYZVTTUBGYMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-9-15(20-11-3-4-11)17-8-18-16(9)21-13-5-10-7-19-22-12(10)6-14(13)23-2/h5-8,11H,3-4H2,1-2H3,(H,19,22)(H2,17,18,20,21).
What are the key properties of 4-N-cyclopropyl-6-N-(6-methoxy-1H-indazol-5-yl)-5-methylpyrimidine-4,6-diamine?
4-N-cyclopropyl-6-N-(6-methoxy-1H-indazol-5-yl)-5-methylpyrimidine-4,6-diamine has a molecular weight of 310.36 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-N-(6-methoxy-1H-indazol-5-yl)-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 175369244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).