4-N-cyclopropyl-6-[4-[(1-propan-2-ylpyrrol-3-yl)methyl]piperazin-1-yl]pyrimidine-2,4-diamine

C19H29N7 — CID 56721199

IUPAC4-N-cyclopropyl-6-[4-[(1-propan-2-ylpyrrol-3-yl)methyl]piperazin-1-yl]pyrimidine-2,4-diamine
SMILESCC(C)n1ccc(CN2CCN(c3cc(NC4CC4)nc(N)n3)CC2)c1
InChIInChI=1S/C19H29N7/c1-14(2)26-6-5-15(13-26)12-24-7-9-25(10-8-24)18-11-17(21-16-3-4-16)22-19(20)23-18/h5-6,11,13-14,16H,3-4,7-10,12H2,1-2H3,(H3,20,21,22,23)
InChIKeyAOTSIGQYAXJNQP-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.34
Rot. Bonds6

About 4-N-cyclopropyl-6-[4-[(1-propan-2-ylpyrrol-3-yl)methyl]piperazin-1-yl]pyrimidine-2,4-diamine

4-N-cyclopropyl-6-[4-[(1-propan-2-ylpyrrol-3-yl)methyl]piperazin-1-yl]pyrimidine-2,4-diamine (PubChem CID 56721199) has the molecular formula C19H29N7 and a molecular weight of 355.49 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-[4-[(1-propan-2-ylpyrrol-3-yl)methyl]piperazin-1-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-[4-[(1-propan-2-ylpyrrol-3-yl)methyl]piperazin-1-yl]pyrimidine-2,4-diamine
PubChem CID56721199
Molecular FormulaC19H29N7
Molecular Weight355.49 g/mol
Exact Mass355.25
IUPAC Name4-N-cyclopropyl-6-[4-[(1-propan-2-ylpyrrol-3-yl)methyl]piperazin-1-yl]pyrimidine-2,4-diamine
SMILESCC(C)n1ccc(CN2CCN(c3cc(NC4CC4)nc(N)n3)CC2)c1
InChIInChI=1S/C19H29N7/c1-14(2)26-6-5-15(13-26)12-24-7-9-25(10-8-24)18-11-17(21-16-3-4-16)22-19(20)23-18/h5-6,11,13-14,16H,3-4,7-10,12H2,1-2H3,(H3,20,21,22,23)
InChIKeyAOTSIGQYAXJNQP-UHFFFAOYSA-N
XLogP2.34
TPSA75.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-[4-[(1-propan-2-ylpyrrol-3-yl)methyl]piperazin-1-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-6-[4-[(1-propan-2-ylpyrrol-3-yl)methyl]piperazin-1-yl]pyrimidine-2,4-diamine (CID 56721199) is 4-N-cyclopropyl-6-[4-[(1-propan-2-ylpyrrol-3-yl)methyl]piperazin-1-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-[4-[(1-propan-2-ylpyrrol-3-yl)methyl]piperazin-1-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-[4-[(1-propan-2-ylpyrrol-3-yl)methyl]piperazin-1-yl]pyrimidine-2,4-diamine is CC(C)n1ccc(CN2CCN(c3cc(NC4CC4)nc(N)n3)CC2)c1.
What is the InChIKey of 4-N-cyclopropyl-6-[4-[(1-propan-2-ylpyrrol-3-yl)methyl]piperazin-1-yl]pyrimidine-2,4-diamine?
The InChIKey is AOTSIGQYAXJNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7/c1-14(2)26-6-5-15(13-26)12-24-7-9-25(10-8-24)18-11-17(21-16-3-4-16)22-19(20)23-18/h5-6,11,13-14,16H,3-4,7-10,12H2,1-2H3,(H3,20,21,22,23).
What are the key properties of 4-N-cyclopropyl-6-[4-[(1-propan-2-ylpyrrol-3-yl)methyl]piperazin-1-yl]pyrimidine-2,4-diamine?
4-N-cyclopropyl-6-[4-[(1-propan-2-ylpyrrol-3-yl)methyl]piperazin-1-yl]pyrimidine-2,4-diamine has a molecular weight of 355.49 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-[4-[(1-propan-2-ylpyrrol-3-yl)methyl]piperazin-1-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 56721199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).