2-cyclopropyl-4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidine

C16H26N4O — CID 133339988

IUPAC2-cyclopropyl-4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidine
SMILESCC(C)OCCN1CCN(c2ccnc(C3CC3)n2)CC1
InChIInChI=1S/C16H26N4O/c1-13(2)21-12-11-19-7-9-20(10-8-19)15-5-6-17-16(18-15)14-3-4-14/h5-6,13-14H,3-4,7-12H2,1-2H3
InChIKeyHMCOVUWUNQNVRQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.90
Rot. Bonds6

About 2-cyclopropyl-4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidine

2-cyclopropyl-4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidine (PubChem CID 133339988) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-cyclopropyl-4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidine
PubChem CID133339988
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-cyclopropyl-4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidine
SMILESCC(C)OCCN1CCN(c2ccnc(C3CC3)n2)CC1
InChIInChI=1S/C16H26N4O/c1-13(2)21-12-11-19-7-9-20(10-8-19)15-5-6-17-16(18-15)14-3-4-14/h5-6,13-14H,3-4,7-12H2,1-2H3
InChIKeyHMCOVUWUNQNVRQ-UHFFFAOYSA-N
XLogP1.90
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-cyclopropyl-4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidine (CID 133339988) is 2-cyclopropyl-4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-cyclopropyl-4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-cyclopropyl-4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidine is CC(C)OCCN1CCN(c2ccnc(C3CC3)n2)CC1.
What is the InChIKey of 2-cyclopropyl-4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidine?
The InChIKey is HMCOVUWUNQNVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-13(2)21-12-11-19-7-9-20(10-8-19)15-5-6-17-16(18-15)14-3-4-14/h5-6,13-14H,3-4,7-12H2,1-2H3.
What are the key properties of 2-cyclopropyl-4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidine?
2-cyclopropyl-4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidine has a molecular weight of 290.41 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 133339988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).