1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(3S)-hex-5-en-3-yl]urea

C13H21N5O — CID 124887450

IUPAC1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(3S)-hex-5-en-3-yl]urea
SMILESC=CC[C@H](CC)NC(=O)Nc1cnc(N(C)C)nc1
InChIInChI=1S/C13H21N5O/c1-5-7-10(6-2)16-13(19)17-11-8-14-12(15-9-11)18(3)4/h5,8-10H,1,6-7H2,2-4H3,(H2,16,17,19)/t10-/m0/s1
InChIKeySEGXSMUFHLMADH-JTQLQIEISA-N
MW263.34 g/mol
LogP2.02
Rot. Bonds6

About 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(3S)-hex-5-en-3-yl]urea

1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(3S)-hex-5-en-3-yl]urea (PubChem CID 124887450) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(3S)-hex-5-en-3-yl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(3S)-hex-5-en-3-yl]urea
PubChem CID124887450
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(3S)-hex-5-en-3-yl]urea
SMILESC=CC[C@H](CC)NC(=O)Nc1cnc(N(C)C)nc1
InChIInChI=1S/C13H21N5O/c1-5-7-10(6-2)16-13(19)17-11-8-14-12(15-9-11)18(3)4/h5,8-10H,1,6-7H2,2-4H3,(H2,16,17,19)/t10-/m0/s1
InChIKeySEGXSMUFHLMADH-JTQLQIEISA-N
XLogP2.02
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)pyrimidin-5-yl]propanamide
CID 91967806
1-[3-(4-acetylpiperazin-1-yl)phenyl]-3-[(3S)-hex-5-en-3-yl]urea
CID 129480794
2-[[(3R)-hex-5-en-3-yl]carbamoylamino]-N-phenylacetamide
CID 129432653
1-[6-(diethylamino)-3-pyridinyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 94168619
1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99581238
1-[(3S)-hex-5-en-3-yl]-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea
CID 125140786
1-[(3S)-hex-5-en-3-yl]-3-[(5-methyl-3-pyridinyl)methyl]urea
CID 129432308
1-[(3S)-hex-5-en-3-yl]-3-[3-(methanesulfonamido)-4-methoxyphenyl]urea
CID 124889174
1-[(3R)-hex-5-en-3-yl]-3-[(1S)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 129480820
1-(2-cyclopropylpyrimidin-5-yl)-3-(1-hydroxypentan-3-yl)urea
CID 111453468
1-[2-(dimethylamino)pyrimidin-5-yl]-3-[1-(3-fluorophenoxy)propan-2-yl]urea
CID 167746140
1-[(3R)-hex-5-en-3-yl]-3-[(2R)-1-methylsulfanylpropan-2-yl]urea
CID 124886093

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(3S)-hex-5-en-3-yl]urea?
The IUPAC name of 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(3S)-hex-5-en-3-yl]urea (CID 124887450) is 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(3S)-hex-5-en-3-yl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(3S)-hex-5-en-3-yl]urea?
The canonical SMILES for 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(3S)-hex-5-en-3-yl]urea is C=CC[C@H](CC)NC(=O)Nc1cnc(N(C)C)nc1.
What is the InChIKey of 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(3S)-hex-5-en-3-yl]urea?
The InChIKey is SEGXSMUFHLMADH-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N5O/c1-5-7-10(6-2)16-13(19)17-11-8-14-12(15-9-11)18(3)4/h5,8-10H,1,6-7H2,2-4H3,(H2,16,17,19)/t10-/m0/s1.
What are the key properties of 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(3S)-hex-5-en-3-yl]urea?
1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(3S)-hex-5-en-3-yl]urea has a molecular weight of 263.34 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(3S)-hex-5-en-3-yl]urea is sourced from PubChem (CID 124887450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).