2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methoxypyrimidine

C16H20N6O — CID 171701942

IUPAC2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methoxypyrimidine
SMILESCOc1cnc(N2CCN(c3cc(C4CC4)ncn3)CC2)nc1
InChIInChI=1S/C16H20N6O/c1-23-13-9-17-16(18-10-13)22-6-4-21(5-7-22)15-8-14(12-2-3-12)19-11-20-15/h8-12H,2-7H2,1H3
InChIKeySOCUYFOSFULRRL-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.48
Rot. Bonds4

About 2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methoxypyrimidine

2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methoxypyrimidine (PubChem CID 171701942) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methoxypyrimidine.

Molecular Properties

Compound Name2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methoxypyrimidine
PubChem CID171701942
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methoxypyrimidine
SMILESCOc1cnc(N2CCN(c3cc(C4CC4)ncn3)CC2)nc1
InChIInChI=1S/C16H20N6O/c1-23-13-9-17-16(18-10-13)22-6-4-21(5-7-22)15-8-14(12-2-3-12)19-11-20-15/h8-12H,2-7H2,1H3
InChIKeySOCUYFOSFULRRL-UHFFFAOYSA-N
XLogP1.48
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methoxypyrimidine?
The IUPAC name of 2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methoxypyrimidine (CID 171701942) is 2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methoxypyrimidine.
What is the SMILES notation for 2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methoxypyrimidine?
The canonical SMILES for 2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methoxypyrimidine is COc1cnc(N2CCN(c3cc(C4CC4)ncn3)CC2)nc1.
What is the InChIKey of 2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methoxypyrimidine?
The InChIKey is SOCUYFOSFULRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-23-13-9-17-16(18-10-13)22-6-4-21(5-7-22)15-8-14(12-2-3-12)19-11-20-15/h8-12H,2-7H2,1H3.
What are the key properties of 2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methoxypyrimidine?
2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methoxypyrimidine has a molecular weight of 312.38 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methoxypyrimidine is sourced from PubChem (CID 171701942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).