4-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine

C15H24N6 — CID 50975930

IUPAC4-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine
SMILESCN(C)c1cc(N(C)Cc2cc(C(C)(C)C)n[nH]2)ncn1
InChIInChI=1S/C15H24N6/c1-15(2,3)12-7-11(18-19-12)9-21(6)14-8-13(20(4)5)16-10-17-14/h7-8,10H,9H2,1-6H3,(H,18,19)
InChIKeyDNQFDGPCKVAREW-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.20
Rot. Bonds4

About 4-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine

4-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine (PubChem CID 50975930) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 4-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine
PubChem CID50975930
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name4-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine
SMILESCN(C)c1cc(N(C)Cc2cc(C(C)(C)C)n[nH]2)ncn1
InChIInChI=1S/C15H24N6/c1-15(2,3)12-7-11(18-19-12)9-21(6)14-8-13(20(4)5)16-10-17-14/h7-8,10H,9H2,1-6H3,(H,18,19)
InChIKeyDNQFDGPCKVAREW-UHFFFAOYSA-N
XLogP2.20
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine with MolForge

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Related Compounds

N4-(5-cyclopropyl-1H-pyrazol-3-yl)-N2-isopentyl-pyrimidine-2,4-diamine
CID 70683297
N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 91800661
3-(1,1-Dimethylethyl)-1-(2-pyrimidinyl)-1H-pyrazol-5-amine
CID 43531915
4-N,4-N,5-trimethyl-2-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidine-2,4-diamine
CID 50951650
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,N',N'-trimethylpyrimidine-4,6-diamine
CID 50970436
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 50976171
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine
CID 50981309
6-[2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 56780916
4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)pyrrolidin-1-yl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 56903795
4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)azetidin-1-yl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 56918054
6-cyclopropyl-N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-N-methylpyrimidin-4-amine
CID 72845294
N-[2-(3,5-Dimethyl-1H-pyrazol-4-YL)ethyl]-6-ethyl-N-methylpyrimidin-4-amine
CID 72871147

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine (CID 50975930) is 4-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine is CN(C)c1cc(N(C)Cc2cc(C(C)(C)C)n[nH]2)ncn1.
What is the InChIKey of 4-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine?
The InChIKey is DNQFDGPCKVAREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-15(2,3)12-7-11(18-19-12)9-21(6)14-8-13(20(4)5)16-10-17-14/h7-8,10H,9H2,1-6H3,(H,18,19).
What are the key properties of 4-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine?
4-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine has a molecular weight of 288.40 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 50975930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).