4-[(2R,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methoxypyrimidine

C18H25N5O2 — CID 124814890

IUPAC4-[(2R,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methoxypyrimidine
SMILESCOc1cc(N2CC[C@@H](OCC3CC3)[C@H]2Cc2cnn(C)c2)ncn1
InChIInChI=1S/C18H25N5O2/c1-22-10-14(9-21-22)7-15-16(25-11-13-3-4-13)5-6-23(15)17-8-18(24-2)20-12-19-17/h8-10,12-13,15-16H,3-7,11H2,1-2H3/t15-,16-/m1/s1
InChIKeyCXRCKPGPMUEMSI-HZPDHXFCSA-N
MW343.43 g/mol
LogP1.84
Rot. Bonds7

About 4-[(2R,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methoxypyrimidine

4-[(2R,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methoxypyrimidine (PubChem CID 124814890) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-[(2R,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methoxypyrimidine.

Molecular Properties

Compound Name4-[(2R,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methoxypyrimidine
PubChem CID124814890
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name4-[(2R,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methoxypyrimidine
SMILESCOc1cc(N2CC[C@@H](OCC3CC3)[C@H]2Cc2cnn(C)c2)ncn1
InChIInChI=1S/C18H25N5O2/c1-22-10-14(9-21-22)7-15-16(25-11-13-3-4-13)5-6-23(15)17-8-18(24-2)20-12-19-17/h8-10,12-13,15-16H,3-7,11H2,1-2H3/t15-,16-/m1/s1
InChIKeyCXRCKPGPMUEMSI-HZPDHXFCSA-N
XLogP1.84
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methoxypyrimidine?
The IUPAC name of 4-[(2R,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methoxypyrimidine (CID 124814890) is 4-[(2R,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methoxypyrimidine.
What is the SMILES notation for 4-[(2R,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methoxypyrimidine?
The canonical SMILES for 4-[(2R,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methoxypyrimidine is COc1cc(N2CC[C@@H](OCC3CC3)[C@H]2Cc2cnn(C)c2)ncn1.
What is the InChIKey of 4-[(2R,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methoxypyrimidine?
The InChIKey is CXRCKPGPMUEMSI-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-22-10-14(9-21-22)7-15-16(25-11-13-3-4-13)5-6-23(15)17-8-18(24-2)20-12-19-17/h8-10,12-13,15-16H,3-7,11H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of 4-[(2R,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methoxypyrimidine?
4-[(2R,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methoxypyrimidine has a molecular weight of 343.43 g/mol, XLogP of 1.84, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-methoxypyrimidine is sourced from PubChem (CID 124814890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).