2-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-N-(2-propan-2-yloxan-3-yl)pyrimidine-2,4-diamine

C17H26N6O — CID 154794243

IUPAC2-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-N-(2-propan-2-yloxan-3-yl)pyrimidine-2,4-diamine
SMILESCc1[nH]ncc1CNc1nccc(NC2CCCOC2C(C)C)n1
InChIInChI=1S/C17H26N6O/c1-11(2)16-14(5-4-8-24-16)21-15-6-7-18-17(22-15)19-9-13-10-20-23-12(13)3/h6-7,10-11,14,16H,4-5,8-9H2,1-3H3,(H,20,23)(H2,18,19,21,22)
InChIKeyUGCCHZIOFMDGJR-UHFFFAOYSA-N
MW330.44 g/mol
LogP2.74
Rot. Bonds6

About 2-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-N-(2-propan-2-yloxan-3-yl)pyrimidine-2,4-diamine

2-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-N-(2-propan-2-yloxan-3-yl)pyrimidine-2,4-diamine (PubChem CID 154794243) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 2-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-N-(2-propan-2-yloxan-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-N-(2-propan-2-yloxan-3-yl)pyrimidine-2,4-diamine
PubChem CID154794243
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name2-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-N-(2-propan-2-yloxan-3-yl)pyrimidine-2,4-diamine
SMILESCc1[nH]ncc1CNc1nccc(NC2CCCOC2C(C)C)n1
InChIInChI=1S/C17H26N6O/c1-11(2)16-14(5-4-8-24-16)21-15-6-7-18-17(22-15)19-9-13-10-20-23-12(13)3/h6-7,10-11,14,16H,4-5,8-9H2,1-3H3,(H,20,23)(H2,18,19,21,22)
InChIKeyUGCCHZIOFMDGJR-UHFFFAOYSA-N
XLogP2.74
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

2-[[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]amino]acetic acid
CID 122047251
2-N-(2-imidazol-1-ylethyl)-4-N-[(2R,3S)-2-propan-2-yloxan-3-yl]pyrimidine-2,4-diamine
CID 129333496
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[4-[[(2R,3R)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]amino]acetamide
CID 129337954
(1S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]ethanamine
CID 93257811
4-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine
CID 112636925
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[(2S,3S)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine
CID 129343408
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-4-N-[(2R,3R)-2-propan-2-yloxan-3-yl]pyrimidine-2,4-diamine
CID 129341346
1-[4-[(2-propan-2-yloxan-3-yl)amino]pyrimidin-2-yl]pyrrolidine-3-carboxylic acid
CID 122048455
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine
CID 62784735
(2R)-4-[4-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]morpholine-2-carbonitrile
CID 129342483
(3R)-N-ethyl-1-[4-[[(2R,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-2-yl]pyrrolidine-3-sulfonamide
CID 129336698
6-N-[(2-methylpyrazol-3-yl)methyl]-4-N-[(2R,3R)-2-propan-2-yloxan-3-yl]pyrimidine-4,6-diamine
CID 129474155

Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-N-(2-propan-2-yloxan-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-N-(2-propan-2-yloxan-3-yl)pyrimidine-2,4-diamine (CID 154794243) is 2-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-N-(2-propan-2-yloxan-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-N-(2-propan-2-yloxan-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-N-(2-propan-2-yloxan-3-yl)pyrimidine-2,4-diamine is Cc1[nH]ncc1CNc1nccc(NC2CCCOC2C(C)C)n1.
What is the InChIKey of 2-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-N-(2-propan-2-yloxan-3-yl)pyrimidine-2,4-diamine?
The InChIKey is UGCCHZIOFMDGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-11(2)16-14(5-4-8-24-16)21-15-6-7-18-17(22-15)19-9-13-10-20-23-12(13)3/h6-7,10-11,14,16H,4-5,8-9H2,1-3H3,(H,20,23)(H2,18,19,21,22).
What are the key properties of 2-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-N-(2-propan-2-yloxan-3-yl)pyrimidine-2,4-diamine?
2-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-N-(2-propan-2-yloxan-3-yl)pyrimidine-2,4-diamine has a molecular weight of 330.44 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-N-(2-propan-2-yloxan-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 154794243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).