1-[(5-methylpyrimidin-2-yl)methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea

C16H20N6O — CID 126839726

IUPAC1-[(5-methylpyrimidin-2-yl)methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
SMILESCc1cnc(CNC(=O)Nc2cccnc2N2CCCC2)nc1
InChIInChI=1S/C16H20N6O/c1-12-9-18-14(19-10-12)11-20-16(23)21-13-5-4-6-17-15(13)22-7-2-3-8-22/h4-6,9-10H,2-3,7-8,11H2,1H3,(H2,20,21,23)
InChIKeyLRJJDHFFXYZEMW-UHFFFAOYSA-N
MW312.38 g/mol
LogP2.10
Rot. Bonds4

About 1-[(5-methylpyrimidin-2-yl)methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea

1-[(5-methylpyrimidin-2-yl)methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea (PubChem CID 126839726) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 1-[(5-methylpyrimidin-2-yl)methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[(5-methylpyrimidin-2-yl)methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
PubChem CID126839726
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name1-[(5-methylpyrimidin-2-yl)methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
SMILESCc1cnc(CNC(=O)Nc2cccnc2N2CCCC2)nc1
InChIInChI=1S/C16H20N6O/c1-12-9-18-14(19-10-12)11-20-16(23)21-13-5-4-6-17-15(13)22-7-2-3-8-22/h4-6,9-10H,2-3,7-8,11H2,1H3,(H2,20,21,23)
InChIKeyLRJJDHFFXYZEMW-UHFFFAOYSA-N
XLogP2.10
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(5-methylpyrimidin-2-yl)methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea with MolForge

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Related Compounds

1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 111573124
1-(2,2-diphenylethyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 112829342
1-buta-2,3-dienyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 126841002
1-(2-pyrrolidin-1-yl-3-pyridinyl)-3-[[1-(1,2,4-triazol-1-yl)cyclopropyl]methyl]urea
CID 167843937
1-[[(4S)-1,3-dioxan-4-yl]methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 97076924
2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 47308006
(2R)-2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 79011469
3-amino-2,2-dimethyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 115426176
2-methylsulfanyl-N-(2-piperidin-1-yl-3-pyridinyl)propanamide
CID 47354331
4-hydroxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide
CID 79200601
2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide
CID 43700405
3-amino-2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 106111464

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylpyrimidin-2-yl)methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea?
The IUPAC name of 1-[(5-methylpyrimidin-2-yl)methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea (CID 126839726) is 1-[(5-methylpyrimidin-2-yl)methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-[(5-methylpyrimidin-2-yl)methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea?
The canonical SMILES for 1-[(5-methylpyrimidin-2-yl)methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea is Cc1cnc(CNC(=O)Nc2cccnc2N2CCCC2)nc1.
What is the InChIKey of 1-[(5-methylpyrimidin-2-yl)methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea?
The InChIKey is LRJJDHFFXYZEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-12-9-18-14(19-10-12)11-20-16(23)21-13-5-4-6-17-15(13)22-7-2-3-8-22/h4-6,9-10H,2-3,7-8,11H2,1H3,(H2,20,21,23).
What are the key properties of 1-[(5-methylpyrimidin-2-yl)methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea?
1-[(5-methylpyrimidin-2-yl)methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea has a molecular weight of 312.38 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylpyrimidin-2-yl)methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea is sourced from PubChem (CID 126839726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).