(1S,2R,4S,5R)-N-[[1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclopropyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide

C19H26N4O — CID 167845354

IUPAC(1S,2R,4S,5R)-N-[[1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclopropyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESCc1cnc(NCC2(CNC(=O)C3[C@@H]4[C@H]5CC[C@H](C5)[C@H]34)CC2)nc1
InChIInChI=1S/C19H26N4O/c1-11-7-20-18(21-8-11)23-10-19(4-5-19)9-22-17(24)16-14-12-2-3-13(6-12)15(14)16/h7-8,12-16H,2-6,9-10H2,1H3,(H,22,24)(H,20,21,23)/t12-,13+,14+,15-,16?
InChIKeyWIVBTTMGQZYTOR-UWCTXQHWSA-N
MW326.44 g/mol
LogP2.39
Rot. Bonds6

About (1S,2R,4S,5R)-N-[[1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclopropyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide

(1S,2R,4S,5R)-N-[[1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclopropyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 167845354) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is (1S,2R,4S,5R)-N-[[1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclopropyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound Name(1S,2R,4S,5R)-N-[[1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclopropyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID167845354
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name(1S,2R,4S,5R)-N-[[1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclopropyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESCc1cnc(NCC2(CNC(=O)C3[C@@H]4[C@H]5CC[C@H](C5)[C@H]34)CC2)nc1
InChIInChI=1S/C19H26N4O/c1-11-7-20-18(21-8-11)23-10-19(4-5-19)9-22-17(24)16-14-12-2-3-13(6-12)15(14)16/h7-8,12-16H,2-6,9-10H2,1H3,(H,22,24)(H,20,21,23)/t12-,13+,14+,15-,16?
InChIKeyWIVBTTMGQZYTOR-UWCTXQHWSA-N
XLogP2.39
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S,2R,4S,5R)-N-[[1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclopropyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S,5R)-N-[[1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclopropyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of (1S,2R,4S,5R)-N-[[1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclopropyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide (CID 167845354) is (1S,2R,4S,5R)-N-[[1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclopropyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for (1S,2R,4S,5R)-N-[[1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclopropyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for (1S,2R,4S,5R)-N-[[1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclopropyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide is Cc1cnc(NCC2(CNC(=O)C3[C@@H]4[C@H]5CC[C@H](C5)[C@H]34)CC2)nc1.
What is the InChIKey of (1S,2R,4S,5R)-N-[[1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclopropyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is WIVBTTMGQZYTOR-UWCTXQHWSA-N. The full InChI is InChI=1S/C19H26N4O/c1-11-7-20-18(21-8-11)23-10-19(4-5-19)9-22-17(24)16-14-12-2-3-13(6-12)15(14)16/h7-8,12-16H,2-6,9-10H2,1H3,(H,22,24)(H,20,21,23)/t12-,13+,14+,15-,16?.
What are the key properties of (1S,2R,4S,5R)-N-[[1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclopropyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide?
(1S,2R,4S,5R)-N-[[1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclopropyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S,5R)-N-[[1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclopropyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 167845354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).