[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]urea

C14H18N6O2 — CID 158445340

IUPAC[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]urea
SMILESCc1ncc(Oc2cc(NC(N)=O)ncc2C(C)C)c(N)n1
InChIInChI=1S/C14H18N6O2/c1-7(2)9-5-18-12(20-14(16)21)4-10(9)22-11-6-17-8(3)19-13(11)15/h4-7H,1-3H3,(H2,15,17,19)(H3,16,18,20,21)
InChIKeyPNKMKZAGJACARU-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.17
Rot. Bonds4

About [4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]urea

[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]urea (PubChem CID 158445340) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is [4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]urea.

Molecular Properties

Compound Name[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]urea
PubChem CID158445340
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]urea
SMILESCc1ncc(Oc2cc(NC(N)=O)ncc2C(C)C)c(N)n1
InChIInChI=1S/C14H18N6O2/c1-7(2)9-5-18-12(20-14(16)21)4-10(9)22-11-6-17-8(3)19-13(11)15/h4-7H,1-3H3,(H2,15,17,19)(H3,16,18,20,21)
InChIKeyPNKMKZAGJACARU-UHFFFAOYSA-N
XLogP2.17
TPSA129.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-5-[(2-methylselanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine
CID 158850448
1-[5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea
CID 160731462
5-[4-methoxy-5-(1-methoxyethyl)-2-propan-2-ylphenoxy]-2-methylpyrimidin-4-amine
CID 147984735
5-[[2-[cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine
CID 159145940
4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol
CID 71206317
methyl 4-[[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]-4-oxobutanoate
CID 68510970
5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-N-methyl-4-propan-2-ylbenzamide
CID 57329522
2-methyl-5-(4-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine;2-(4-methyl-2-propan-2-ylphenoxy)acetonitrile
CID 159163664
N-[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]-2-methoxyacetamide
CID 58826050
4-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-2-methylbut-3-yn-2-ol;5-[(5-bromo-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine
CID 167647897
1-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea
CID 57329705
2-methyl-5-[(3-propan-2-yl-1,7-naphthyridin-4-yl)oxy]pyrimidin-4-amine
CID 167626151

Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]urea?
The IUPAC name of [4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]urea (CID 158445340) is [4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]urea.
What is the SMILES notation for [4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]urea?
The canonical SMILES for [4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]urea is Cc1ncc(Oc2cc(NC(N)=O)ncc2C(C)C)c(N)n1.
What is the InChIKey of [4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]urea?
The InChIKey is PNKMKZAGJACARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-7(2)9-5-18-12(20-14(16)21)4-10(9)22-11-6-17-8(3)19-13(11)15/h4-7H,1-3H3,(H2,15,17,19)(H3,16,18,20,21).
What are the key properties of [4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]urea?
[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]urea has a molecular weight of 302.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]urea is sourced from PubChem (CID 158445340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).