N-butan-2-yl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C11H16N4 — CID 110430106

IUPACN-butan-2-yl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCC(C)Nc1ncnc2[nH]c(C)cc12
InChIInChI=1S/C11H16N4/c1-4-7(2)14-10-9-5-8(3)15-11(9)13-6-12-10/h5-7H,4H2,1-3H3,(H2,12,13,14,15)
InChIKeyKDMVDYBPWXGGQF-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.48
Rot. Bonds3

About N-butan-2-yl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-butan-2-yl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 110430106) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is N-butan-2-yl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID110430106
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC NameN-butan-2-yl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCC(C)Nc1ncnc2[nH]c(C)cc12
InChIInChI=1S/C11H16N4/c1-4-7(2)14-10-9-5-8(3)15-11(9)13-6-12-10/h5-7H,4H2,1-3H3,(H2,12,13,14,15)
InChIKeyKDMVDYBPWXGGQF-UHFFFAOYSA-N
XLogP2.48
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-butan-2-yl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 110430106) is N-butan-2-yl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-butan-2-yl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-butan-2-yl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CCC(C)Nc1ncnc2[nH]c(C)cc12.
What is the InChIKey of N-butan-2-yl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is KDMVDYBPWXGGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-4-7(2)14-10-9-5-8(3)15-11(9)13-6-12-10/h5-7H,4H2,1-3H3,(H2,12,13,14,15).
What are the key properties of N-butan-2-yl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-butan-2-yl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 204.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110430106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).