4-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine

C16H24N6 — CID 50955234

IUPAC4-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine
SMILESCc1nc(N(C)C)nc(N(C)Cc2cc(C3CC3)n[nH]2)c1C
InChIInChI=1S/C16H24N6/c1-10-11(2)17-16(21(3)4)18-15(10)22(5)9-13-8-14(20-19-13)12-6-7-12/h8,12H,6-7,9H2,1-5H3,(H,19,20)
InChIKeyMEMKHVOYQLWGJE-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.40
Rot. Bonds5

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

4-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine (PubChem CID 50955234) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine
PubChem CID50955234
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name4-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine
SMILESCc1nc(N(C)C)nc(N(C)Cc2cc(C3CC3)n[nH]2)c1C
InChIInChI=1S/C16H24N6/c1-10-11(2)17-16(21(3)4)18-15(10)22(5)9-13-8-14(20-19-13)12-6-7-12/h8,12H,6-7,9H2,1-5H3,(H,19,20)
InChIKeyMEMKHVOYQLWGJE-UHFFFAOYSA-N
XLogP2.40
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine (CID 50955234) is 4-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine is Cc1nc(N(C)C)nc(N(C)Cc2cc(C3CC3)n[nH]2)c1C.
What is the InChIKey of 4-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine?
The InChIKey is MEMKHVOYQLWGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-10-11(2)17-16(21(3)4)18-15(10)22(5)9-13-8-14(20-19-13)12-6-7-12/h8,12H,6-7,9H2,1-5H3,(H,19,20).
What are the key properties of 4-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine?
4-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine has a molecular weight of 300.41 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine is sourced from PubChem (CID 50955234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).