6-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C19H24N6 — CID 69313848

IUPAC6-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC1CN(Cc2ccc(-c3cc4c(N)ncnc4[nH]3)cc2)CC(C)N1
InChIInChI=1S/C19H24N6/c1-12-8-25(9-13(2)23-12)10-14-3-5-15(6-4-14)17-7-16-18(20)21-11-22-19(16)24-17/h3-7,11-13,23H,8-10H2,1-2H3,(H3,20,21,22,24)
InChIKeyVYQLPJYJKBTUMJ-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.39
Rot. Bonds3

About 6-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

6-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 69313848) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 6-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID69313848
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name6-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC1CN(Cc2ccc(-c3cc4c(N)ncnc4[nH]3)cc2)CC(C)N1
InChIInChI=1S/C19H24N6/c1-12-8-25(9-13(2)23-12)10-14-3-5-15(6-4-14)17-7-16-18(20)21-11-22-19(16)24-17/h3-7,11-13,23H,8-10H2,1-2H3,(H3,20,21,22,24)
InChIKeyVYQLPJYJKBTUMJ-UHFFFAOYSA-N
XLogP2.39
TPSA82.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 69313848) is 6-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CC1CN(Cc2ccc(-c3cc4c(N)ncnc4[nH]3)cc2)CC(C)N1.
What is the InChIKey of 6-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is VYQLPJYJKBTUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-12-8-25(9-13(2)23-12)10-14-3-5-15(6-4-14)17-7-16-18(20)21-11-22-19(16)24-17/h3-7,11-13,23H,8-10H2,1-2H3,(H3,20,21,22,24).
What are the key properties of 6-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
6-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 336.44 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 69313848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).