2-cyclopropyl-4-methoxy-6-methyl-5-(piperazin-1-ylmethyl)pyrimidine

C14H22N4O — CID 82666441

IUPAC2-cyclopropyl-4-methoxy-6-methyl-5-(piperazin-1-ylmethyl)pyrimidine
SMILESCOc1nc(C2CC2)nc(C)c1CN1CCNCC1
InChIInChI=1S/C14H22N4O/c1-10-12(9-18-7-5-15-6-8-18)14(19-2)17-13(16-10)11-3-4-11/h11,15H,3-9H2,1-2H3
InChIKeyKORMOJLADAECIX-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.08
Rot. Bonds4

About 2-cyclopropyl-4-methoxy-6-methyl-5-(piperazin-1-ylmethyl)pyrimidine

2-cyclopropyl-4-methoxy-6-methyl-5-(piperazin-1-ylmethyl)pyrimidine (PubChem CID 82666441) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-cyclopropyl-4-methoxy-6-methyl-5-(piperazin-1-ylmethyl)pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-4-methoxy-6-methyl-5-(piperazin-1-ylmethyl)pyrimidine
PubChem CID82666441
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-cyclopropyl-4-methoxy-6-methyl-5-(piperazin-1-ylmethyl)pyrimidine
SMILESCOc1nc(C2CC2)nc(C)c1CN1CCNCC1
InChIInChI=1S/C14H22N4O/c1-10-12(9-18-7-5-15-6-8-18)14(19-2)17-13(16-10)11-3-4-11/h11,15H,3-9H2,1-2H3
InChIKeyKORMOJLADAECIX-UHFFFAOYSA-N
XLogP1.08
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-6-methyl-5-(piperazin-1-ylmethyl)-2-propan-2-ylpyrimidine
CID 82666997
2-cyclopropyl-4,5-dimethyl-6-(piperidin-4-ylmethoxy)pyrimidine
CID 155976714
2-cyclopentyl-4,6-dimethyl-5-piperazin-1-ylpyrimidine
CID 117212544
4,5,6-trimethyl-2-piperidin-4-ylpyrimidine
CID 63317217
7,8-dimethyl-9-(piperazin-1-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline
CID 23557921
4-chloro-2-methoxy-3,5-dimethyl-6-(piperazin-1-ylmethyl)phenol
CID 117458546
1-[(3-bromo-2-methoxy-6-methylphenyl)methyl]piperazine
CID 117482052
1-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]piperazine
CID 117458592
4-methoxy-2-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 115040233
1-[(2,6-dimethoxy-4-pyridinyl)methyl]piperazine
CID 84700154
1-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperazine
CID 55058169
1-[(2-methoxy-3-pyridinyl)methyl]piperazine
CID 22032016

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-methoxy-6-methyl-5-(piperazin-1-ylmethyl)pyrimidine?
The IUPAC name of 2-cyclopropyl-4-methoxy-6-methyl-5-(piperazin-1-ylmethyl)pyrimidine (CID 82666441) is 2-cyclopropyl-4-methoxy-6-methyl-5-(piperazin-1-ylmethyl)pyrimidine.
What is the SMILES notation for 2-cyclopropyl-4-methoxy-6-methyl-5-(piperazin-1-ylmethyl)pyrimidine?
The canonical SMILES for 2-cyclopropyl-4-methoxy-6-methyl-5-(piperazin-1-ylmethyl)pyrimidine is COc1nc(C2CC2)nc(C)c1CN1CCNCC1.
What is the InChIKey of 2-cyclopropyl-4-methoxy-6-methyl-5-(piperazin-1-ylmethyl)pyrimidine?
The InChIKey is KORMOJLADAECIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10-12(9-18-7-5-15-6-8-18)14(19-2)17-13(16-10)11-3-4-11/h11,15H,3-9H2,1-2H3.
What are the key properties of 2-cyclopropyl-4-methoxy-6-methyl-5-(piperazin-1-ylmethyl)pyrimidine?
2-cyclopropyl-4-methoxy-6-methyl-5-(piperazin-1-ylmethyl)pyrimidine has a molecular weight of 262.36 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-methoxy-6-methyl-5-(piperazin-1-ylmethyl)pyrimidine is sourced from PubChem (CID 82666441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).