N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine

C16H23N7 — CID 56916306

IUPACN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nc(N(C)Cc2cc(C(C)(C)C)n[nH]2)c2cnn(C)c2n1
InChIInChI=1S/C16H23N7/c1-10-18-14(12-8-17-23(6)15(12)19-10)22(5)9-11-7-13(21-20-11)16(2,3)4/h7-8H,9H2,1-6H3,(H,20,21)
InChIKeyQGFUFRDUFDVRCB-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.33
Rot. Bonds3

About N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 56916306) has the molecular formula C16H23N7 and a molecular weight of 313.41 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID56916306
Molecular FormulaC16H23N7
Molecular Weight313.41 g/mol
Exact Mass313.20
IUPAC NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nc(N(C)Cc2cc(C(C)(C)C)n[nH]2)c2cnn(C)c2n1
InChIInChI=1S/C16H23N7/c1-10-18-14(12-8-17-23(6)15(12)19-10)22(5)9-11-7-13(21-20-11)16(2,3)4/h7-8H,9H2,1-6H3,(H,20,21)
InChIKeyQGFUFRDUFDVRCB-UHFFFAOYSA-N
XLogP2.33
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,1,6-trimethyl-N-(1H-pyrazol-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 166260521
N-[(4-methoxyphenyl)methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 165433761
N-[[3-(difluoromethoxy)phenyl]methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 71886373
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 56900481
N,1-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
CID 70748206
6-tert-butyl-N,1-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 56900692
1-[benzyl-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)amino]-2-methylbutan-2-ol
CID 138044587
6-tert-butyl-4-chloro-1-methylpyrazolo[5,4-b]pyridine
CID 119053925
N,1,6-trimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-amine
CID 56908596
4-(4-ethylpiperazin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 47292239
4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one
CID 138023130
4-N,1-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 166260497

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine (CID 56916306) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine is Cc1nc(N(C)Cc2cc(C(C)(C)C)n[nH]2)c2cnn(C)c2n1.
What is the InChIKey of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is QGFUFRDUFDVRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7/c1-10-18-14(12-8-17-23(6)15(12)19-10)22(5)9-11-7-13(21-20-11)16(2,3)4/h7-8H,9H2,1-6H3,(H,20,21).
What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine?
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 313.41 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56916306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).