(1R,2R)-2-N-(4-methylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,2-diamine

C14H16N4 — CID 138027257

IUPAC(1R,2R)-2-N-(4-methylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,2-diamine
SMILESCc1ccnc(N[C@@H]2Cc3ccccc3[C@H]2N)n1
InChIInChI=1S/C14H16N4/c1-9-6-7-16-14(17-9)18-12-8-10-4-2-3-5-11(10)13(12)15/h2-7,12-13H,8,15H2,1H3,(H,16,17,18)/t12-,13-/m1/s1
InChIKeyTYGNYWYTVLZWMW-CHWSQXEVSA-N
MW240.31 g/mol
LogP1.82
Rot. Bonds2

About (1R,2R)-2-N-(4-methylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,2-diamine

(1R,2R)-2-N-(4-methylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,2-diamine (PubChem CID 138027257) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is (1R,2R)-2-N-(4-methylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,2-diamine.

Molecular Properties

Compound Name(1R,2R)-2-N-(4-methylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,2-diamine
PubChem CID138027257
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name(1R,2R)-2-N-(4-methylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,2-diamine
SMILESCc1ccnc(N[C@@H]2Cc3ccccc3[C@H]2N)n1
InChIInChI=1S/C14H16N4/c1-9-6-7-16-14(17-9)18-12-8-10-4-2-3-5-11(10)13(12)15/h2-7,12-13H,8,15H2,1H3,(H,16,17,18)/t12-,13-/m1/s1
InChIKeyTYGNYWYTVLZWMW-CHWSQXEVSA-N
XLogP1.82
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2R)-2-N-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3-dihydro-1H-indene-1,2-diamine
CID 138027256
4-methyl-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)pyrimidin-2-amine
CID 133309901
4-methyl-N-(2-phenylcyclopropyl)pyrimidin-2-amine
CID 62958917
N-(1-amino-2,3-dihydro-1H-inden-2-yl)hydroxylamine
CID 144626033
4-methyl-N-(2-methylthiolan-3-yl)pyrimidin-2-amine
CID 131114290
N-(5,6-dibromo-2,3-dihydro-1H-inden-2-yl)-4-methylpyrimidin-2-amine
CID 175982623
4-methyl-N-(2-methylsulfanylcyclopentyl)pyrimidin-2-amine
CID 103703993
N-[(3aR,4R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]-4-methylpyrimidin-2-amine
CID 97226307
N-(4-methylpyrimidin-2-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 62959807
(1S,2S)-2-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)-2,3-dihydro-1H-indene-1,2-diamine
CID 56904558
N-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64634656
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]pyridine-4-carboxamide
CID 142582886

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-N-(4-methylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,2-diamine?
The IUPAC name of (1R,2R)-2-N-(4-methylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,2-diamine (CID 138027257) is (1R,2R)-2-N-(4-methylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,2-diamine.
What is the SMILES notation for (1R,2R)-2-N-(4-methylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,2-diamine?
The canonical SMILES for (1R,2R)-2-N-(4-methylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,2-diamine is Cc1ccnc(N[C@@H]2Cc3ccccc3[C@H]2N)n1.
What is the InChIKey of (1R,2R)-2-N-(4-methylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,2-diamine?
The InChIKey is TYGNYWYTVLZWMW-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H16N4/c1-9-6-7-16-14(17-9)18-12-8-10-4-2-3-5-11(10)13(12)15/h2-7,12-13H,8,15H2,1H3,(H,16,17,18)/t12-,13-/m1/s1.
What are the key properties of (1R,2R)-2-N-(4-methylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,2-diamine?
(1R,2R)-2-N-(4-methylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,2-diamine has a molecular weight of 240.31 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-N-(4-methylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,2-diamine is sourced from PubChem (CID 138027257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).