N,2,5,6-tetramethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-amine

C18H21N5 — CID 70715101

IUPACN,2,5,6-tetramethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(C)c(C)c(N(C)Cc2cnn(-c3ccccc3)c2)n1
InChIInChI=1S/C18H21N5/c1-13-14(2)20-15(3)21-18(13)22(4)11-16-10-19-23(12-16)17-8-6-5-7-9-17/h5-10,12H,11H2,1-4H3
InChIKeyZJPJYMHQFGINKM-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.22
Rot. Bonds4

About N,2,5,6-tetramethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-amine

N,2,5,6-tetramethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-amine (PubChem CID 70715101) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is N,2,5,6-tetramethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2,5,6-tetramethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-amine
PubChem CID70715101
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC NameN,2,5,6-tetramethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(C)c(C)c(N(C)Cc2cnn(-c3ccccc3)c2)n1
InChIInChI=1S/C18H21N5/c1-13-14(2)20-15(3)21-18(13)22(4)11-16-10-19-23(12-16)17-8-6-5-7-9-17/h5-10,12H,11H2,1-4H3
InChIKeyZJPJYMHQFGINKM-UHFFFAOYSA-N
XLogP3.22
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2,5,6-tetramethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of N,2,5,6-tetramethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-amine (CID 70715101) is N,2,5,6-tetramethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for N,2,5,6-tetramethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for N,2,5,6-tetramethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-amine is Cc1nc(C)c(C)c(N(C)Cc2cnn(-c3ccccc3)c2)n1.
What is the InChIKey of N,2,5,6-tetramethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is ZJPJYMHQFGINKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-13-14(2)20-15(3)21-18(13)22(4)11-16-10-19-23(12-16)17-8-6-5-7-9-17/h5-10,12H,11H2,1-4H3.
What are the key properties of N,2,5,6-tetramethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-amine?
N,2,5,6-tetramethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 307.40 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5,6-tetramethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 70715101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).