4-chloro-7-propan-2-yl-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine

C12H19ClN4 — CID 88533706

IUPAC4-chloro-7-propan-2-yl-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCCNc1nc(Cl)c2c(n1)N(C(C)C)CC2
InChIInChI=1S/C12H19ClN4/c1-4-6-14-12-15-10(13)9-5-7-17(8(2)3)11(9)16-12/h8H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyAKFPRELPOCPSRH-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.72
Rot. Bonds4

About 4-chloro-7-propan-2-yl-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine

4-chloro-7-propan-2-yl-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 88533706) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 4-chloro-7-propan-2-yl-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-7-propan-2-yl-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID88533706
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name4-chloro-7-propan-2-yl-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCCNc1nc(Cl)c2c(n1)N(C(C)C)CC2
InChIInChI=1S/C12H19ClN4/c1-4-6-14-12-15-10(13)9-5-7-17(8(2)3)11(9)16-12/h8H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyAKFPRELPOCPSRH-UHFFFAOYSA-N
XLogP2.72
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-propan-2-yl-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-7-propan-2-yl-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine (CID 88533706) is 4-chloro-7-propan-2-yl-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-7-propan-2-yl-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-7-propan-2-yl-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine is CCCNc1nc(Cl)c2c(n1)N(C(C)C)CC2.
What is the InChIKey of 4-chloro-7-propan-2-yl-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is AKFPRELPOCPSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-4-6-14-12-15-10(13)9-5-7-17(8(2)3)11(9)16-12/h8H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 4-chloro-7-propan-2-yl-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine?
4-chloro-7-propan-2-yl-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 254.76 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-propan-2-yl-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 88533706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).