(2R)-2-[[[2-methyl-5-(3-phenylpropoxy)pyrimidin-4-yl]amino]methyl]pentan-1-ol

C20H29N3O2 — CID 134569028

IUPAC(2R)-2-[[[2-methyl-5-(3-phenylpropoxy)pyrimidin-4-yl]amino]methyl]pentan-1-ol
SMILESCCC[C@@H](CO)CNc1nc(C)ncc1OCCCc1ccccc1
InChIInChI=1S/C20H29N3O2/c1-3-8-18(15-24)13-22-20-19(14-21-16(2)23-20)25-12-7-11-17-9-5-4-6-10-17/h4-6,9-10,14,18,24H,3,7-8,11-13,15H2,1-2H3,(H,21,22,23)/t18-/m1/s1
InChIKeyUQTNMXUTUZYCRN-GOSISDBHSA-N
MW343.47 g/mol
LogP3.62
Rot. Bonds11

About (2R)-2-[[[2-methyl-5-(3-phenylpropoxy)pyrimidin-4-yl]amino]methyl]pentan-1-ol

(2R)-2-[[[2-methyl-5-(3-phenylpropoxy)pyrimidin-4-yl]amino]methyl]pentan-1-ol (PubChem CID 134569028) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (2R)-2-[[[2-methyl-5-(3-phenylpropoxy)pyrimidin-4-yl]amino]methyl]pentan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[[2-methyl-5-(3-phenylpropoxy)pyrimidin-4-yl]amino]methyl]pentan-1-ol
PubChem CID134569028
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name(2R)-2-[[[2-methyl-5-(3-phenylpropoxy)pyrimidin-4-yl]amino]methyl]pentan-1-ol
SMILESCCC[C@@H](CO)CNc1nc(C)ncc1OCCCc1ccccc1
InChIInChI=1S/C20H29N3O2/c1-3-8-18(15-24)13-22-20-19(14-21-16(2)23-20)25-12-7-11-17-9-5-4-6-10-17/h4-6,9-10,14,18,24H,3,7-8,11-13,15H2,1-2H3,(H,21,22,23)/t18-/m1/s1
InChIKeyUQTNMXUTUZYCRN-GOSISDBHSA-N
XLogP3.62
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-[(2-methyl-5-phenylmethoxypyrimidin-4-yl)amino]heptan-1-ol
CID 135252916
(2S)-2-[[2-amino-5-[3-(4-methoxyphenyl)propoxy]pyrimidin-4-yl]amino]pentan-1-ol
CID 70856449
3-[[2-amino-5-[3-(4-ethylphenyl)propoxy]pyrimidin-4-yl]amino]hexan-1-ol
CID 135229069
N-methyl-2-(3-phenylpropoxy)pentan-1-amine
CID 83045802
(2S)-2-[(2-amino-5-phenylmethoxypyrimidin-4-yl)amino]pentan-1-ol
CID 70856450
[5-methoxy-4-(3-phenylpropoxy)-2-pyridinyl]methanol
CID 21221229
N-[[6-methyl-3-(3-phenylpropoxy)-2-pyridinyl]methyl]ethanamine
CID 79157323
1-(3-phenylpropoxy)pentan-2-ol
CID 62042803
ethane;N-methylmethanamine;3-methyl-5-(3-phenylpropoxy)pyridine;propane
CID 145472833
5-(3-phenylpropoxy)-N-propylpyridin-3-amine
CID 104536691
N-[4-(1-hydroxyhexan-2-ylamino)-5-phenylmethoxypyrimidin-2-yl]acetamide
CID 123903397
N-methylmethanamine;1-(3-phenylpropoxy)naphthalene
CID 142048688

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[[2-methyl-5-(3-phenylpropoxy)pyrimidin-4-yl]amino]methyl]pentan-1-ol?
The IUPAC name of (2R)-2-[[[2-methyl-5-(3-phenylpropoxy)pyrimidin-4-yl]amino]methyl]pentan-1-ol (CID 134569028) is (2R)-2-[[[2-methyl-5-(3-phenylpropoxy)pyrimidin-4-yl]amino]methyl]pentan-1-ol.
What is the SMILES notation for (2R)-2-[[[2-methyl-5-(3-phenylpropoxy)pyrimidin-4-yl]amino]methyl]pentan-1-ol?
The canonical SMILES for (2R)-2-[[[2-methyl-5-(3-phenylpropoxy)pyrimidin-4-yl]amino]methyl]pentan-1-ol is CCC[C@@H](CO)CNc1nc(C)ncc1OCCCc1ccccc1.
What is the InChIKey of (2R)-2-[[[2-methyl-5-(3-phenylpropoxy)pyrimidin-4-yl]amino]methyl]pentan-1-ol?
The InChIKey is UQTNMXUTUZYCRN-GOSISDBHSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-3-8-18(15-24)13-22-20-19(14-21-16(2)23-20)25-12-7-11-17-9-5-4-6-10-17/h4-6,9-10,14,18,24H,3,7-8,11-13,15H2,1-2H3,(H,21,22,23)/t18-/m1/s1.
What are the key properties of (2R)-2-[[[2-methyl-5-(3-phenylpropoxy)pyrimidin-4-yl]amino]methyl]pentan-1-ol?
(2R)-2-[[[2-methyl-5-(3-phenylpropoxy)pyrimidin-4-yl]amino]methyl]pentan-1-ol has a molecular weight of 343.47 g/mol, XLogP of 3.62, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[[2-methyl-5-(3-phenylpropoxy)pyrimidin-4-yl]amino]methyl]pentan-1-ol is sourced from PubChem (CID 134569028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).