4-methoxy-6-methyl-5-(piperazin-1-ylmethyl)-2-propan-2-ylpyrimidine

C14H24N4O — CID 82666997

IUPAC4-methoxy-6-methyl-5-(piperazin-1-ylmethyl)-2-propan-2-ylpyrimidine
SMILESCOc1nc(C(C)C)nc(C)c1CN1CCNCC1
InChIInChI=1S/C14H24N4O/c1-10(2)13-16-11(3)12(14(17-13)19-4)9-18-7-5-15-6-8-18/h10,15H,5-9H2,1-4H3
InChIKeyIMTWRTLJWSYTKI-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.32
Rot. Bonds4

About 4-methoxy-6-methyl-5-(piperazin-1-ylmethyl)-2-propan-2-ylpyrimidine

4-methoxy-6-methyl-5-(piperazin-1-ylmethyl)-2-propan-2-ylpyrimidine (PubChem CID 82666997) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-methoxy-6-methyl-5-(piperazin-1-ylmethyl)-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-methoxy-6-methyl-5-(piperazin-1-ylmethyl)-2-propan-2-ylpyrimidine
PubChem CID82666997
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-methoxy-6-methyl-5-(piperazin-1-ylmethyl)-2-propan-2-ylpyrimidine
SMILESCOc1nc(C(C)C)nc(C)c1CN1CCNCC1
InChIInChI=1S/C14H24N4O/c1-10(2)13-16-11(3)12(14(17-13)19-4)9-18-7-5-15-6-8-18/h10,15H,5-9H2,1-4H3
InChIKeyIMTWRTLJWSYTKI-UHFFFAOYSA-N
XLogP1.32
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-4-methoxy-6-methyl-5-(piperazin-1-ylmethyl)pyrimidine
CID 82666441
2-methyl-4-(piperazin-1-ylmethyl)-6-propan-2-yl-1,3,5-triazine
CID 82476264
1-[(2,6-dimethoxy-4-pyridinyl)methyl]piperazine
CID 84700154
1-[(4-methoxy-3-methyl-5-propan-2-ylphenyl)methyl]piperazine
CID 117411213
1-[(2-methoxy-3-pyridinyl)methyl]piperazine
CID 22032016
1-[(3-bromo-2-methoxy-6-methylphenyl)methyl]piperazine
CID 117482052
4-chloro-2-methoxy-3,5-dimethyl-6-(piperazin-1-ylmethyl)phenol
CID 117458546
1-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]piperazine
CID 117458592
1-[(2-methoxy-6-propan-2-yloxyphenyl)methyl]piperazine
CID 117415818
5-methoxy-1-(2-methylpropyl)-2-(piperazin-1-ylmethyl)benzimidazole
CID 83967757
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine
CID 43162347
7,8-dimethyl-9-(piperazin-1-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline
CID 23557921

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-5-(piperazin-1-ylmethyl)-2-propan-2-ylpyrimidine?
The IUPAC name of 4-methoxy-6-methyl-5-(piperazin-1-ylmethyl)-2-propan-2-ylpyrimidine (CID 82666997) is 4-methoxy-6-methyl-5-(piperazin-1-ylmethyl)-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-methoxy-6-methyl-5-(piperazin-1-ylmethyl)-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-methoxy-6-methyl-5-(piperazin-1-ylmethyl)-2-propan-2-ylpyrimidine is COc1nc(C(C)C)nc(C)c1CN1CCNCC1.
What is the InChIKey of 4-methoxy-6-methyl-5-(piperazin-1-ylmethyl)-2-propan-2-ylpyrimidine?
The InChIKey is IMTWRTLJWSYTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10(2)13-16-11(3)12(14(17-13)19-4)9-18-7-5-15-6-8-18/h10,15H,5-9H2,1-4H3.
What are the key properties of 4-methoxy-6-methyl-5-(piperazin-1-ylmethyl)-2-propan-2-ylpyrimidine?
4-methoxy-6-methyl-5-(piperazin-1-ylmethyl)-2-propan-2-ylpyrimidine has a molecular weight of 264.37 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-5-(piperazin-1-ylmethyl)-2-propan-2-ylpyrimidine is sourced from PubChem (CID 82666997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).