N,1-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6-propylpyrazolo[5,4-d]pyrimidin-4-amine

C17H24N6S — CID 70744266

IUPACN,1-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6-propylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCCc1nc(N(C)Cc2csc(C(C)C)n2)c2cnn(C)c2n1
InChIInChI=1S/C17H24N6S/c1-6-7-14-20-15(13-8-18-23(5)16(13)21-14)22(4)9-12-10-24-17(19-12)11(2)3/h8,10-11H,6-7,9H2,1-5H3
InChIKeyICEYVINGOOFVTP-UHFFFAOYSA-N
MW344.49 g/mol
LogP3.53
Rot. Bonds6

About N,1-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6-propylpyrazolo[5,4-d]pyrimidin-4-amine

N,1-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6-propylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 70744266) has the molecular formula C17H24N6S and a molecular weight of 344.49 g/mol. Its IUPAC name is N,1-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6-propylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6-propylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID70744266
Molecular FormulaC17H24N6S
Molecular Weight344.49 g/mol
Exact Mass344.18
IUPAC NameN,1-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6-propylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCCc1nc(N(C)Cc2csc(C(C)C)n2)c2cnn(C)c2n1
InChIInChI=1S/C17H24N6S/c1-6-7-14-20-15(13-8-18-23(5)16(13)21-14)22(4)9-12-10-24-17(19-12)11(2)3/h8,10-11H,6-7,9H2,1-5H3
InChIKeyICEYVINGOOFVTP-UHFFFAOYSA-N
XLogP3.53
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.49
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6-propylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N,1-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6-propylpyrazolo[5,4-d]pyrimidin-4-amine (CID 70744266) is N,1-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6-propylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,1-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6-propylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N,1-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6-propylpyrazolo[5,4-d]pyrimidin-4-amine is CCCc1nc(N(C)Cc2csc(C(C)C)n2)c2cnn(C)c2n1.
What is the InChIKey of N,1-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6-propylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is ICEYVINGOOFVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6S/c1-6-7-14-20-15(13-8-18-23(5)16(13)21-14)22(4)9-12-10-24-17(19-12)11(2)3/h8,10-11H,6-7,9H2,1-5H3.
What are the key properties of N,1-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6-propylpyrazolo[5,4-d]pyrimidin-4-amine?
N,1-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6-propylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 344.49 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6-propylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70744266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).