N,5,6-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrimidin-4-amine

C12H17N5 — CID 119103637

IUPACN,5,6-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
SMILESCc1ncnc(N(C)Cc2ccnn2C)c1C
InChIInChI=1S/C12H17N5/c1-9-10(2)13-8-14-12(9)16(3)7-11-5-6-15-17(11)4/h5-6,8H,7H2,1-4H3
InChIKeyYPVCFGCBMZIGPX-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.46
Rot. Bonds3

About N,5,6-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrimidin-4-amine

N,5,6-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrimidin-4-amine (PubChem CID 119103637) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N,5,6-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,5,6-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
PubChem CID119103637
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN,5,6-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
SMILESCc1ncnc(N(C)Cc2ccnn2C)c1C
InChIInChI=1S/C12H17N5/c1-9-10(2)13-8-14-12(9)16(3)7-11-5-6-15-17(11)4/h5-6,8H,7H2,1-4H3
InChIKeyYPVCFGCBMZIGPX-UHFFFAOYSA-N
XLogP1.46
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Trapidil
CID 5531
5-Methyl-s-triazolo(1,5-a)pyrimidine
CID 584230
2-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 67988921
4-N-methyl-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093006
4-N-methyl-2-N-(3-methyl-1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281529
2-N-(1-ethyl-5-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281708
4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine
CID 135260428
N-(1,5-dimethyl-1H-pyrazol-4-yl)-5-methyl-2-pyrimidinamine
CID 134129122
2-Methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 14501859
5-Methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 45121237
5,6-Dimethylpyrazolo[1,5-A]pyrimidine
CID 49761390
4-Methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
CID 59867561

Frequently Asked Questions

What is the IUPAC name of N,5,6-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of N,5,6-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrimidin-4-amine (CID 119103637) is N,5,6-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for N,5,6-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for N,5,6-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrimidin-4-amine is Cc1ncnc(N(C)Cc2ccnn2C)c1C.
What is the InChIKey of N,5,6-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is YPVCFGCBMZIGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9-10(2)13-8-14-12(9)16(3)7-11-5-6-15-17(11)4/h5-6,8H,7H2,1-4H3.
What are the key properties of N,5,6-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrimidin-4-amine?
N,5,6-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 231.30 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,6-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 119103637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).