4-N,7-di(propan-2-yl)-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine

C15H27N5 — CID 57378240

IUPAC4-N,7-di(propan-2-yl)-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(NC(C)C)c2c(n1)N(C(C)C)CC2
InChIInChI=1S/C15H27N5/c1-6-8-16-15-18-13(17-10(2)3)12-7-9-20(11(4)5)14(12)19-15/h10-11H,6-9H2,1-5H3,(H2,16,17,18,19)
InChIKeyNSJBYUXFESIXJX-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.89
Rot. Bonds6

About 4-N,7-di(propan-2-yl)-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine

4-N,7-di(propan-2-yl)-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 57378240) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 4-N,7-di(propan-2-yl)-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,7-di(propan-2-yl)-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID57378240
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name4-N,7-di(propan-2-yl)-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(NC(C)C)c2c(n1)N(C(C)C)CC2
InChIInChI=1S/C15H27N5/c1-6-8-16-15-18-13(17-10(2)3)12-7-9-20(11(4)5)14(12)19-15/h10-11H,6-9H2,1-5H3,(H2,16,17,18,19)
InChIKeyNSJBYUXFESIXJX-UHFFFAOYSA-N
XLogP2.89
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N,7-di(propan-2-yl)-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N,7-di(propan-2-yl)-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 57378240) is 4-N,7-di(propan-2-yl)-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,7-di(propan-2-yl)-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,7-di(propan-2-yl)-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine is CCCNc1nc(NC(C)C)c2c(n1)N(C(C)C)CC2.
What is the InChIKey of 4-N,7-di(propan-2-yl)-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is NSJBYUXFESIXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-6-8-16-15-18-13(17-10(2)3)12-7-9-20(11(4)5)14(12)19-15/h10-11H,6-9H2,1-5H3,(H2,16,17,18,19).
What are the key properties of 4-N,7-di(propan-2-yl)-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine?
4-N,7-di(propan-2-yl)-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 277.42 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,7-di(propan-2-yl)-2-N-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 57378240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).