N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C14H17N5S — CID 50964426

IUPACN-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)c1nc(CN(C)c2ncnc3[nH]ccc23)cs1
InChIInChI=1S/C14H17N5S/c1-9(2)14-18-10(7-20-14)6-19(3)13-11-4-5-15-12(11)16-8-17-13/h4-5,7-9H,6H2,1-3H3,(H,15,16,17)
InChIKeyHXRAZYMHMRGUBE-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.17
Rot. Bonds4

About N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 50964426) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID50964426
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC NameN-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)c1nc(CN(C)c2ncnc3[nH]ccc23)cs1
InChIInChI=1S/C14H17N5S/c1-9(2)14-18-10(7-20-14)6-19(3)13-11-4-5-15-12(11)16-8-17-13/h4-5,7-9H,6H2,1-3H3,(H,15,16,17)
InChIKeyHXRAZYMHMRGUBE-UHFFFAOYSA-N
XLogP3.17
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 50964426) is N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CC(C)c1nc(CN(C)c2ncnc3[nH]ccc23)cs1.
What is the InChIKey of N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is HXRAZYMHMRGUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-9(2)14-18-10(7-20-14)6-19(3)13-11-4-5-15-12(11)16-8-17-13/h4-5,7-9H,6H2,1-3H3,(H,15,16,17).
What are the key properties of N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 287.39 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 50964426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).