4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine

C19H21F2N7 — CID 154829274

IUPAC4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1cc2ncnc(N3CCN(c4cc(C(F)F)nc(C5CC5)n4)CC3)c2[nH]1
InChIInChI=1S/C19H21F2N7/c1-11-8-13-16(24-11)19(23-10-22-13)28-6-4-27(5-7-28)15-9-14(17(20)21)25-18(26-15)12-2-3-12/h8-10,12,17,24H,2-7H2,1H3
InChIKeyRYLALJZPKRKGGM-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.20
Rot. Bonds4

About 4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine

4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 154829274) has the molecular formula C19H21F2N7 and a molecular weight of 385.42 g/mol. Its IUPAC name is 4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID154829274
Molecular FormulaC19H21F2N7
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC Name4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1cc2ncnc(N3CCN(c4cc(C(F)F)nc(C5CC5)n4)CC3)c2[nH]1
InChIInChI=1S/C19H21F2N7/c1-11-8-13-16(24-11)19(23-10-22-13)28-6-4-27(5-7-28)15-9-14(17(20)21)25-18(26-15)12-2-3-12/h8-10,12,17,24H,2-7H2,1H3
InChIKeyRYLALJZPKRKGGM-UHFFFAOYSA-N
XLogP3.20
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 154829246
N,N,4-trimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine
CID 155981603
6-methyl-4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine
CID 166605553
N,N-dimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
CID 155942652
6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-7H-purine
CID 154580454
4-[4-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]quinazoline
CID 154882816
7-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 154829283
7-methyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]purine
CID 154853672
4-[4-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine
CID 154882855
3-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-propan-2-ylpyrrolidin-2-one
CID 155980257
5-chloro-4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1H-pyridazin-6-one
CID 175651639
5-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 154828957

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine (CID 154829274) is 4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine is Cc1cc2ncnc(N3CCN(c4cc(C(F)F)nc(C5CC5)n4)CC3)c2[nH]1.
What is the InChIKey of 4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is RYLALJZPKRKGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N7/c1-11-8-13-16(24-11)19(23-10-22-13)28-6-4-27(5-7-28)15-9-14(17(20)21)25-18(26-15)12-2-3-12/h8-10,12,17,24H,2-7H2,1H3.
What are the key properties of 4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine?
4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 385.42 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 154829274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).